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Hydrochloric Acid → 8-fluoro-4-[3-(2-methoxyethyl)piperazin-1-yl]-10H-thieno[2,3-b][1,5]benzodiazepine

HRID 1132492
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반응식

HRID 1132492 반응식
[CH3:18][O:19][CH2:20][CH2:21][CH:22]1[NH:23][CH2:24][CH2:25][NH:26][CH2:27]1.[CH3:28][S:29]([CH3:30])=[O:31].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:17]1)[NH:8][c:9]1[s:10][cH:11][cH:12][c:13]1[C:14]([NH2:16])=[N:15]2>>[F:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:17]1)[NH:8][c:9]1[s:10][cH:11][cH:12][c:13]1[C:14]([N:16]1[CH2:25][CH2:24][NH:23][CH:22]([CH2:21][CH2:20][O:19][CH3:18])[CH2:27]1)=[N:15]2
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 1140TolueneHCID 8857Ethyl AcetateHCID 178066642-(2-Methoxyethyl)piperazineHCID 586259188-fluoro-10H-thieno[2,3-b][1,5]benzodiazepin-4-amine

생성물 1

출처 및 근거

ORD 기록
ord-04aa2ad3e46a45e89889b69c28aba9f3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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HCID 69215082
8-fluoro-4-[3-(2-methoxyethyl)piperazin-1-yl]-10H-thieno[2,3-b][1,5]benzodiazepine