Dichloromethane → 2-(4-Amino-3-chloro-5-trifluoromethyl-benzyl)-4-oxo-4-[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidin-1-yl]-butyraldehyde

반응식

[Cl:38][CH2:39][Cl:40].[NH2:1][c:2]1[c:3]([Cl:37])[cH:4][c:5]([CH2:12][CH:13]([CH2:14][C:15](=[O:16])[N:17]2[CH2:18][CH2:19][CH:20]([N:23]3[C:24](=[O:34])[NH:25][c:26]4[c:27]([cH:30][cH:31][cH:32][cH:33]4)[CH2:28][CH2:29]3)[CH2:21][CH2:22]2)[CH2:35][OH:36])[cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]>>[NH2:1][c:2]1[c:3]([Cl:37])[cH:4][c:5]([CH2:12][CH:13]([CH2:14][C:15](=[O:16])[N:17]2[CH2:18][CH2:19][CH:20]([N:23]3[C:24](=[O:34])[NH:25][c:26]4[c:27]([cH:30][cH:31][cH:32][cH:33]4)[CH2:28][CH2:29]3)[CH2:21][CH2:22]2)[CH:35]=[O:36])[cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]

참가 물질

반응물 2

HCID 6344Dichloromethane

HCID 221845953-{1-[4-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-3-hydroxymethyl-butyryl]-piperidin-4-yl}1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one

생성물 1

HCID 221845352-(4-Amino-3-chloro-5-trifluoromethyl-benzyl)-4-oxo-4-[4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidin-1-yl]-butyraldehyde

출처 및 근거

ORD 기록: ord-32fe676985484e1ebcc1386f5ffdb55f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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