[3-(4-chloro-1H-benzoimidazol-2-yl)-propyl]methyl-amine → rac-(1R,2R,4R*)-2-(2-{[3-(4-Chloro-1H-benzoimidazol-2-yl)-propyl]-methyl-amino}-ethyl)-5-phenyl-bicyclo[2.2.2]oct-5-en-2-ol

반응식

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

참가 물질

반응물 2

HCID 60787078[3-(4-chloro-1H-benzoimidazol-2-yl)-propyl]methyl-amine

HCID 66878002HCID 66878002, 화합물

생성물 1

HCID 68415466rac-(1R*,2R*,4R*)-2-(2-{[3-(4-Chloro-1H-benzoimidazol-2-yl)-propyl]-methyl-amino}-ethyl)-5-phenyl-bicyclo[2.2.2]oct-5-en-2-ol

출처 및 근거

ORD 기록: ord-c8b89a04e8084c02a738de7a4d14a03c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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