Hydrochloric Acid → HCID 178483190, compound

HRID 1218525Notes

Reaction equation

HRID 1218525 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[NH:20][C:21]([CH2:22][CH:23]=[CH:24][C:25](=[O:26])[OH:27])([CH3:28])[CH3:29].[CH2:84]([N:85]([CH:86]([CH3:87])[CH3:88])[CH:89]([CH3:90])[CH3:91])[CH3:92].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[Cl:81][CH2:82][Cl:83].[ClH:1].[OH:30][n:31]1[c:32]2[n:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1.[c:40]1([S:46](=[O:47])(=[O:48])[NH:49][c:50]2[c:51]([CH2:56][CH2:57][N:58]([C:59]([CH:60]([CH2:61][c:62]3[cH:63][c:64]4[cH:65][cH:66][cH:67][cH:68][c:69]4[cH:70][cH:71]3)[NH:72][CH3:73])=[O:74])[CH3:75])[cH:52][cH:53][cH:54][cH:55]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[NH:20][C:21]([CH2:22][CH:23]=[CH:24][C:25](=[O:27])[N:72]([CH:60]([C:59]([N:58]([CH2:57][CH2:56][c:51]1[c:50]([NH:49][S:46]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)(=[O:47])=[O:48])[cH:55][cH:54][cH:53][cH:52]1)[CH3:75])=[O:74])[CH2:61][c:62]1[cH:63][c:64]2[cH:65][cH:66][cH:67][cH:68][c:69]2[cH:70][cH:71]1)[CH3:73])([CH3:28])[CH3:29]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 541269175-Methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acidHCID 178483151HCID 178483151, compound

Product 1

HCID 178483190HCID 178483190, compound

Sources & evidence

ORD record
ord-7aa5dad747fb409c8f920a6366d377f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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