Ethanol → 5-[1-tert-Butyl-2-(5-ethyl-2-1,2,4-triazol-1-yl-phenyl)-1H-benzimidazol-5-yl]-pyrimidin-2-ylamine

반응식

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

참가 물질

반응물 2

HCID 702Ethanol

HCID 532373775-[1-tert-Butyl-2-(2-1,2,4-triazol-1-yl-5-vinyl-phenyl)-1H-benzimidazol-5-yl]-pyrimidin-2-ylamine

생성물 1

HCID 532376105-[1-tert-Butyl-2-(5-ethyl-2-1,2,4-triazol-1-yl-phenyl)-1H-benzimidazol-5-yl]-pyrimidin-2-ylamine

출처 및 근거

ORD 기록: ord-6fa4d3e117554783827eaf10b4708623
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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