Benzene → 6-(o-chlorophenyl)-8-chloro-4H-s-triazolo[4,3-a][1,4] benzodiazepine-1-carboxaldehyde

HRID 699829

반응식

HRID 699829 반응식
[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][c:11]3[n:12]([c:20]([CH2:23][OH:24])[n:21][n:22]3)-[c:13]3[c:14]2[cH:15][c:16]([Cl:19])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1.[cH:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][c:11]3[n:12]([c:20]([CH:23]=[O:24])[n:21][n:22]3)-[c:13]3[c:14]2[cH:15][c:16]([Cl:19])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1

참가 물질

3

반응물 2

HCID 241BenzeneHCID 1963alpha-Hydroxytriazolam

생성물 1

HCID 214860126-(o-chlorophenyl)-8-chloro-4H-s-triazolo[4,3-a][1,4] benzodiazepine-1-carboxaldehyde

출처 및 근거

ORD 기록
ord-e9bdafa2c69f4317a315d6735930ebd9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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