5-Hydroxymethyl-7-nitro-1H-indole-2-carboxylic acid → [2-[[5-(hydroxymethyl)-7-nitro-1H-indole-2-carbonyl]amino]-3-[(4-methoxyphenyl)methylsulfanyl]propyl] 2,2-dimethylpropanoate

반응식

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

참가 물질

반응물 2

HCID 594480875-Hydroxymethyl-7-nitro-1H-indole-2-carboxylic acid

HCID 66974332[2-Amino-3-[(4-methoxyphenyl)methylsulfanyl]propyl] 2,2-dimethylpropanoate

생성물 1

HCID 66974349[2-[[5-(hydroxymethyl)-7-nitro-1H-indole-2-carbonyl]amino]-3-[(4-methoxyphenyl)methylsulfanyl]propyl] 2,2-dimethylpropanoate

출처 및 근거

ORD 기록: ord-7be3fc2cf900464a9a1a1f7c6cd98d45
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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