Hydrochloric Acid → 48-[3-(4-Amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid

HRID 2318550Notes

Reaction equation

HRID 2318550 reaction equation
[CH3:1][NH:2][CH:3]([CH2:4][CH:5]([CH3:6])[CH3:7])[C:8](=[O:9])[NH:10][CH:11]1[CH:12]([OH:13])[c:14]2[cH:15][cH:16][c:17]([c:99]([Cl:100])[cH:101]2)[O:18][c:19]2[cH:20][c:21]3[cH:22][c:23]([c:76]2[O:77][CH:78]2[O:79][CH:80]([CH2:81][OH:82])[CH:83]([OH:84])[CH:85]([OH:86])[CH:87]2[O:88][CH:89]2[CH2:90][C:91]([CH3:92])([NH2:93])[CH:94]([OH:95])[CH:96]([CH3:97])[O:98]2)[O:24][c:25]2[cH:26][cH:27][c:28]([cH:29][c:30]2[Cl:31])[CH:32]([OH:33])[CH:34]2[NH:35][C:36](=[O:37])[CH:38]([NH:39][C:40](=[O:41])[CH:42]3[NH:43][C:44](=[O:45])[CH:46]([CH2:47][C:48]([NH2:49])=[O:50])[NH:51][C:52]1=[O:53])[c:54]1[cH:55][cH:56][c:57]([OH:58])[c:59]([cH:60]1)-[c:61]1[c:62]([OH:63])[cH:64][c:65]([OH:66])[cH:67][c:68]1[CH:69]([C:73]([OH:74])=[O:75])[NH:70][C:71]2=[O:72].[CH:108]([OH:109])([CH3:110])[CH3:111].[ClH:102].[P:103](=[O:104])([OH:105])([OH:106])[OH:107]>>[CH3:1][NH:2][CH:3]([CH2:4][CH:5]([CH3:6])[CH3:7])[C:8](=[O:9])[NH:10][CH:11]1[CH:12]([OH:13])[c:14]2[cH:15][cH:16][c:17]([c:99]([Cl:100])[cH:101]2)[O:18][c:19]2[cH:20][c:21]3[cH:22][c:23]([c:76]2[O:77][CH:78]2[O:79][CH:80]([CH2:81][OH:82])[CH:83]([OH:84])[CH:85]([OH:86])[CH:87]2[O:88][CH:89]2[CH2:90][C:91]([CH3:92])([NH2:93])[CH:94]([OH:95])[CH:96]([CH3:97])[O:98]2)[O:24][c:25]2[cH:26][cH:27][c:28]([cH:29][c:30]2[Cl:31])[CH:32]([OH:33])[CH:34]2[NH:35][C:36](=[O:37])[CH:38]([NH:39][C:40](=[O:41])[CH:42]3[NH:43][C:44](=[O:45])[CH:46]([CH2:47][C:48]([NH2:49])=[O:50])[NH:51][C:52]1=[O:53])[c:54]1[cH:55][cH:56][c:57]([OH:58])[c:59]([cH:60]1)-[c:61]1[c:62]([OH:63])[cH:64][c:65]([OH:66])[cH:67][c:68]1[CH:69]([C:73](=[O:74])[OH:75])[NH:70][C:71]2=[O:72]

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 1004Phosphoric AcidHCID 3776IsopropanolHCID 565148-[3-(4-Amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid

Product 1

HCID 565148-[3-(4-Amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid

Sources & evidence

ORD record
ord-2e451c0516f44057a245bd1a86cacc27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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