Water → HCID 3048906, 화합물

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[CH3:17][c:18]1[c:19]([CH2:23][S:24][CH2:25][CH2:26][NH2:27])[n:20][cH:21][nH:22]1.[OH2:28].[n:1]1[c:2]([CH2:7][c:8]2[c:9](=[O:16])[nH:10][c:11]([S:14][CH3:15])[n:12][cH:13]2)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([CH2:7][c:8]2[c:9](=[O:16])[nH:10][c:11]([NH:27][CH2:26][CH2:25][S:24][CH2:23][c:19]3[c:18]([CH3:17])[nH:22][cH:21][n:20]3)[n:12][cH:13]2)[cH:3][cH:4][cH:5][cH:6]1

참가 물질

반응물 3

HCID 962Water

HCID 6655684-(((2-Aminoethyl)thio)methyl)-5-methylimidazole

HCID 14338586HCID 14338586, 화합물

생성물 1

HCID 3048906HCID 3048906, 화합물

출처 및 근거

ORD 기록: ord-ea1b99cb2bff45709e7e0a64216012ee
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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