Acetic Acid → benzyl N-[5-[[3-[formyl(hydroxy)amino]-2-(3-phenylpropyl)hexanoyl]amino]-6-oxo-6-(1,3,4-thiadiazol-2-ylamino)hexyl]carbamate

반응식

[C:53]([OH:54])(=[O:55])[CH3:56].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]([C:17]([NH:18][c:19]1[s:20][cH:21][n:22][n:23]1)=[O:24])[NH:25][C:26]([CH:27]([CH:28]([CH2:29][CH2:30][CH3:31])[N:32]([O:33][CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38][O:39]1)[CH:40]=[O:41])[CH2:42][CH2:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:51].[OH2:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]([C:17]([NH:18][c:19]1[s:20][cH:21][n:22][n:23]1)=[O:24])[NH:25][C:26]([CH:27]([CH:28]([CH2:29][CH2:30][CH3:31])[N:32]([OH:33])[CH:40]=[O:41])[CH2:42][CH2:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:51]

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 962Water

HCID 178442639HCID 178442639, 화합물

생성물 1

HCID 20712459benzyl N-[5-[[3-[formyl(hydroxy)amino]-2-(3-phenylpropyl)hexanoyl]amino]-6-oxo-6-(1,3,4-thiadiazol-2-ylamino)hexyl]carbamate

출처 및 근거

ORD 기록: ord-4868e3c95fa14cd386b2abde391a6a9e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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