Dichloromethane → 1-Acetoxymethyl-8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 24387Phosphorus trichloride

HCID 121759821-Acetoxymethyl-8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine 5-Oxide

생성물 1

HCID 155632711-Acetoxymethyl-8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine

출처 및 근거

ORD 기록: ord-ae3057eac42245f4a483af9982a5ea9e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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