Phosphorus oxychloride → 9-Chloro-6-(4-methyl-1-piperazinyl)-1,2-dihydrobenzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepine

반응식

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

참가 물질

반응물 2

HCID 24813Phosphorus oxychloride

HCID 13823354HCID 13823354, 화합물

생성물 1

HCID 138232909-Chloro-6-(4-methyl-1-piperazinyl)-1,2-dihydrobenzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepine

출처 및 근거

ORD 기록: ord-c0a84fdf1c6d471d9dcb0b5016375ef3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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