Methanol → 2-(2-Amino-ethoxy)-4-[5-(5-chloro-2-oxo-2H-[1,2']bipyridinyl-5'-ylmethyl)-imidazol-1-ylmethyl]-benzonitrile

반응식

[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][CH2:9][O:10][c:11]1[c:12]([C:38]#[N:39])[cH:13][cH:14][c:15]([CH2:17][n:18]2[cH:19][n:20][cH:21][c:22]2[CH2:23][c:24]2[cH:25][cH:26][c:27](-[n:30]3[c:31](=[O:37])[cH:32][cH:33][c:34]([Cl:36])[cH:35]3)[n:28][cH:29]2)[cH:16]1)([CH3:5])([CH3:6])[CH3:40].[CH3:41][OH:42]>>[NH2:7][CH2:8][CH2:9][O:10][c:11]1[c:12]([C:38]#[N:39])[cH:13][cH:14][c:15]([CH2:17][n:18]2[cH:19][n:20][cH:21][c:22]2[CH2:23][c:24]2[cH:25][cH:26][c:27](-[n:30]3[c:31](=[O:37])[cH:32][cH:33][c:34]([Cl:36])[cH:35]3)[n:28][cH:29]2)[cH:16]1

참가 물질

반응물 2

HCID 887Methanol

HCID 54572239(2-{5-[5-(5-chloro-2-oxo-2H-[1,2']bipyridinyl-5'-ylmethyl)-imidazol-1-ylmethyl]-2-cyano-phenoxy}-ethyl)-carbamic acid tert-butyl ester

생성물 1

HCID 187797582-(2-Amino-ethoxy)-4-[5-(5-chloro-2-oxo-2H-[1,2']bipyridinyl-5'-ylmethyl)-imidazol-1-ylmethyl]-benzonitrile

출처 및 근거

ORD 기록: ord-37338137c7634e45a259f30cbf0414e3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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