Hydrochloric Acid → 3-[4-(2-butoxyethoxy)phenyl]-10-(2-methylpropyl)-N-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-8,9-dihydro-7H-pyrido[2,3-b]azocine-6-carboxamide

HRID 2317276Notes

Reaction equation

HRID 2317276 reaction equation
[CH2:30]([CH2:31][CH3:32])[n:33]1[cH:34][n:35][cH:36][c:37]1[CH2:38][S:39](=[O:40])[c:41]1[cH:42][cH:43][c:44]([NH2:45])[cH:46][cH:47]1.[CH2:48]([CH2:49][CH2:50][CH3:51])[O:52][CH2:53][CH2:54][O:55][c:56]1[cH:57][cH:58][c:59](-[c:62]2[cH:63][c:64]3[c:65]([n:79][cH:80]2)[N:66]([CH2:75][CH:76]([CH3:77])[CH3:78])[CH2:67][CH2:68][CH2:69][C:70]([C:72](=[O:73])[OH:74])=[CH:71]3)[cH:60][cH:61]1.[CH2:87]([n:88]1[c:89]([CH2:90][S:91]([c:92]2[cH:93][cH:94][c:95]([NH2:96])[cH:97][cH:98]2)=[O:99])[cH:100][n:101][cH:102]1)[CH2:103][CH3:104].[CH3:105][CH2:106][O:107][C:108](=[O:109])[CH3:110].[Cl:112][CH2:113][Cl:114].[Cl:81][C:82]([C:83]([Cl:84])=[O:85])=[O:86].[ClH:111].[O:115]1[CH2:116][CH2:117][CH2:118][CH2:119]1.[O:127]=[CH:128][N:129]([CH3:130])[CH3:131].[OH2:120].[OH2:1].[c:2]1([CH3:3])[cH:4][cH:5][c:6]([C:7]([O:8][C:9]([CH:10]([CH:11]([C:12]([O:13][C:14]([c:15]2[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]2)=[O:22])=[O:23])[OH:24])[OH:25])=[O:26])=[O:27])[cH:28][cH:29]1.[cH:121]1[cH:122][cH:123][n:124][cH:125][cH:126]1>>[CH2:30]([CH2:31][CH3:32])[n:33]1[cH:34][n:35][cH:36][c:37]1[CH2:38][S:39](=[O:40])[c:41]1[cH:42][cH:43][c:44]([NH:45][C:72]([C:70]2=[CH:71][c:64]3[cH:63][c:62](-[c:59]4[cH:58][cH:57][c:56]([O:55][CH2:54][CH2:53][O:52][CH2:48][CH2:49][CH2:50][CH3:51])[cH:61][cH:60]4)[cH:80][n:79][c:65]3[N:66]([CH2:75][CH:76]([CH3:77])[CH3:78])[CH2:67][CH2:68][CH2:69]2)=[O:73])[cH:46][cH:47]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 962Water2×HCID 1049PyridineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 14721058Di-p-toluoyltartrateHCID 229386104-[[(1-Propyl-1H-imidazol-5-yl)methyl]sulfinyl]benzenamine2×HCID 694246853-[4-(2-Butoxyethoxy)phenyl]-10-isobutyl-7,8,9,10-tetrahydropyrido[2,3-b]azocine-6-carboxylic acid

Product 1

HCID 694258533-[4-(2-butoxyethoxy)phenyl]-10-(2-methylpropyl)-N-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]-8,9-dihydro-7H-pyrido[2,3-b]azocine-6-carboxamide

Sources & evidence

ORD record
ord-57149fe4059d4a93be87cddab1058088
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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