Hydrochloric Acid → Hydrochloric Acid

반응식

[ClH:43].[c:1]1([CH:7]([C:8](=[O:9])[O:10][CH3:11])[N:12]2[CH2:13][CH2:14][CH:15]([c:18]3[cH:19][cH:20][c:21]([NH:24][C:25](=[O:26])[c:27]4[c:28](-[c:33]5[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]5)[cH:29][cH:30][cH:31][cH:32]4)[cH:22][cH:23]3)[CH2:16][CH2:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:43].[c:1]1([CH:7]([C:8](=[O:9])[OH:10])[N:12]2[CH2:13][CH2:14][CH:15]([c:18]3[cH:19][cH:20][c:21]([NH:24][C:25](=[O:26])[c:27]4[c:28](-[c:33]5[cH:34][cH:35][c:36]([C:39]([F:40])([F:41])[F:42])[cH:37][cH:38]5)[cH:29][cH:30][cH:31][cH:32]4)[cH:22][cH:23]3)[CH2:16][CH2:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 2

HCID 313Hydrochloric Acid

HCID 17989467Methyl (2s)-phenyl[4-[4-[[[4'-(trifluoromethyl)-2-biphenylyl]carbonyl]amino]phenyl]-1-piperidinyl]acetate

생성물 2

HCID 313Hydrochloric Acid

HCID 22499383metabolite of Usistapide

출처 및 근거

ORD 기록: ord-5c242b9b31a249c284d507f8ea2e36bc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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