Hydrochloric Acid → 12-[3-(2-methoxyethyl)piperazin-1-yl]-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine

반응식

[CH3:21][O:22][CH2:23][CH2:24][CH:25]1[NH:26][CH2:27][CH2:28][NH:29][CH2:30]1.[ClH:1].[cH:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[s:8][c:9]1[c:15]2[C:14]([NH2:16])=[N:13][c:12]2[c:11]([cH:20][cH:19][cH:18][cH:17]2)[NH:10]1>>[cH:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[s:8][c:9]1[c:15]2[C:14]([N:16]2[CH2:28][CH2:27][NH:26][CH:25]([CH2:24][CH2:23][O:22][CH3:21])[CH2:30]2)=[N:13][c:12]2[c:11]([cH:20][cH:19][cH:18][cH:17]2)[NH:10]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 178066642-(2-Methoxyethyl)piperazine

HCID 1357977286H-[1]benzothiolo[2,3-b][1,5]benzodiazepin-12-amine

생성물 1

HCID 13638418712-[3-(2-methoxyethyl)piperazin-1-yl]-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine

출처 및 근거

ORD 기록: ord-c32f37dc0e4b4fde9441ce41d247d051
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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