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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Chloride → 8-Chloro-4-[3-(5-dimethylaminomethyl-[1,2,4]triazol-1-yl)-phenyl]-7-(methyl-propyl-amino)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 1568399
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인쇄 미리보기

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HRID 1568399 반응식
[CH3:37][NH:38][CH3:39].[Cl-:36].[Cl:1][c:2]1[c:3]([N:27]([CH2:28][CH2:29][CH3:30])[CH3:31])[cH:4][c:5]2[c:6]([cH:26]1)[NH:7][C:8](=[O:25])[CH2:9][C:10]([c:12]1[cH:13][c:14](-[n:18]3[n:19][cH:20][n:21][c:22]3[CH2:23][OH:24])[cH:15][cH:16][cH:17]1)=[N:11]2.[Cl:40][CH2:41][Cl:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[S:32]([Cl:33])([Cl:34])=[O:35]>>[Cl:1][c:2]1[c:3]([N:27]([CH2:28][CH2:29][CH3:30])[CH3:31])[cH:4][c:5]2[c:6]([cH:26]1)[NH:7][C:8](=[O:25])[CH2:9][C:10]([c:12]1[cH:13][c:14](-[n:18]3[n:19][cH:20][n:21][c:22]3[CH2:23][N:38]([CH3:37])[CH3:39])[cH:15][cH:16][cH:17]1)=[N:11]2
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참가 물질

7

반응물 6

HCID 312ChlorideHCID 674DimethylamineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 186131528-Chloro-7-(methyl-propyl-amino)-4-[3-(5-hydroxymethyl-[1,2,4]triazol-1-yl)-phenyl]-1,3-dihydro-benzo[b][1,4]diazepin-2-one

생성물 1

HCID 18613414
8-Chloro-4-[3-(5-dimethylaminomethyl-[1,2,4]triazol-1-yl)-phenyl]-7-(methyl-propyl-amino)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

출처 및 근거

ORD 기록
ord-5babc5fa82ff40ff88de48e113e7164e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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