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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dimethylformamide → 10-{[2',6-Dichloro-3-methoxy-[1,1'-biphenyl]-4-yl]carbonyl}-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine

HRID 1128128
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HRID 1128128 반응식
[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[Cl:1][c:2]1[c:3](-[c:13]2[c:14]([Cl:19])[cH:15][cH:16][cH:17][cH:18]2)[cH:4][c:5]([O:11][CH3:12])[c:6]([C:8](=[O:9])[OH:10])[cH:7]1.[Cl:50][CH2:51][Cl:52].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[S:20]([Cl:21])([Cl:22])=[O:23].[cH:24]1[cH:25][cH:26][n:27]2[c:28]1[CH2:29][NH:30][c:31]1[c:32]([cH:34][cH:35][cH:36][cH:37]1)[CH2:33]2>>[Cl:1][c:2]1[c:3](-[c:13]2[c:14]([Cl:19])[cH:15][cH:16][cH:17][cH:18]2)[cH:4][c:5]([O:11][CH3:12])[c:6]([C:8](=[O:10])[N:30]2[CH2:29][c:28]3[cH:24][cH:25][cH:26][n:27]3[CH2:33][c:32]3[c:31]2[cH:37][cH:36][cH:35][cH:34]3)[cH:7]1
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참가 물질

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HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 1554704810,11-Dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepineHCID 219477112'-Chloro-2-chloro-5-methoxy-[1,1'-biphenyl]-4-carboxylic acid

생성물 1

HCID 2194774710-{[2',6-Dichloro-3-methoxy-[1,1'-biphenyl]-4-yl]carbonyl}-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine

출처 및 근거

ORD 기록
ord-72df03b85e4f49638c0d6fdf68007645
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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