Bicarbonate Ion → 1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(3-quinolinylmethyl)-

반응식

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

참가 물질

반응물 3

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 22130687HCID 22130687, 화합물

생성물 1

HCID 4740441H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(3-quinolinylmethyl)-

출처 및 근거

ORD 기록: ord-5ab11f091bc24ce8a61e77746605c8bd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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