Hydrochloric Acid → HCID 71208512, 화합물

반응식

[ClH:1].[NH2:2][CH2:3][c:4]1[c:5]([C:25](=[O:26])[O:27][CH3:28])[n:6](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:7]2[n:8][c:9]([C:15]([F:16])([F:17])[F:18])[cH:10][cH:11][c:12]2[c:13]1=[O:14].[S:29]([NH2:30])(=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][c:36]([C:37](=[O:38])[OH:39])[cH:40][cH:41]1>>[NH:2]([CH2:3][c:4]1[c:5]([C:25](=[O:26])[O:27][CH3:28])[n:6](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:7]2[n:8][c:9]([C:15]([F:16])([F:17])[F:18])[cH:10][cH:11][c:12]2[c:13]1=[O:14])[C:37]([c:36]1[cH:35][cH:34][c:33]([S:29]([NH2:30])(=[O:31])=[O:32])[cH:41][cH:40]1)=[O:38]

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 8739Carzenide

HCID 71208428Methyl 3-(aminomethyl)-4-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-2-carboxylate

생성물 1

HCID 71208512HCID 71208512, 화합물

출처 및 근거

ORD 기록: ord-270de46d3b3848dca6e10578616cc36b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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