Methanol → [2-(3-ethyl-indazol-1-ylmethyl)-1-(4-hydroxy-butyl)-1H-benzoimidazol-5-ylmethyl]-carbamic acid tert-butyl ester

반응식

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

참가 물질

반응물 2

HCID 887Methanol

HCID 69719540[1-(4-hydroxy-butyl)-2-(3-vinyl-indazol-1-ylmethyl)-1H-benzoimidazol-5-ylmethyl]-carbamic acid tert-butyl ester

생성물 1

HCID 69718284[2-(3-ethyl-indazol-1-ylmethyl)-1-(4-hydroxy-butyl)-1H-benzoimidazol-5-ylmethyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-fce33c7af6b04fb092b6e272e6d1e5b5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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