Ethanol → 7,8-Dimethoxy-1-methyl-5-(piperidin-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 8082Piperidine

HCID 691548525-Chloro-7,8-dimethoxy-1-methyl-1,3-dihydro-1,4-benzodiazepin-2-one

생성물 1

HCID 573990387,8-Dimethoxy-1-methyl-5-(piperidin-1-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

출처 및 근거

ORD 기록: ord-e0c57b072258451c8e08f2120d3f74d8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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