Hydrochloric Acid → 2-(2-piperidinoethylthio)-5-(2-chlorophenyl)-7-chloro-3H-1,4-benzodiazepine

HRID 175420

반응식

HRID 175420 반응식
[CH3:23][OH:24].[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][C:11](=[S:20])[NH:12][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.[Cl:26][CH2:27][CH2:28][N:29]1[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1.[ClH:25].[Na+:22].[OH-:21].[OH2:35]>>[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][C:11]([S:20][CH2:27][CH2:28][N:29]3[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]3)=[N:12][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

8

반응물 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 748271-(2-Chloroethyl)piperidineHCID 8267037-chloro 5-(2-chlorophenyl)-1,3-dihydro-2H-(1,4)-benzodiazepine-2-thione

생성물 1

HCID 129470432-(2-piperidinoethylthio)-5-(2-chlorophenyl)-7-chloro-3H-1,4-benzodiazepine

출처 및 근거

ORD 기록
ord-53008c4f09c7472fad663222c879e212
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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