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Dichloromethane → 4-[3-(2-Methyl-pyridin-4-yl)-phenyl]-8-trifluoromethoxy-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 116730
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인쇄 미리보기

반응식

HRID 116730 반응식
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:19][C:20]([CH2:21][C:22](=[O:5])[c:24]2[cH:25][c:26](-[c:30]3[cH:31][c:32]([CH3:36])[n:33][cH:34][cH:35]3)[cH:27][cH:28][cH:29]2)=[O:37])[cH:10][c:11]([O:14][C:15]([F:16])([F:17])[F:18])[cH:12][cH:13]1)([CH3:6])([CH3:23])[CH3:38].[Cl:46][CH2:47][Cl:48].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[N:7]1=[C:22]([c:24]2[cH:25][c:26](-[c:30]3[cH:31][c:32]([CH3:36])[n:33][cH:34][cH:35]3)[cH:27][cH:28][cH:29]2)[CH2:21][C:20](=[O:37])[NH:19][c:9]2[c:8]1[cH:13][cH:12][c:11]([O:14][C:15]([F:16])([F:17])[F:18])[cH:10]2
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참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589352(2-{3-[3-(2-Methyl-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethoxy-phenyl)-carbamic acid tert-butyl ester

생성물 1

HCID 112928064-[3-(2-Methyl-pyridin-4-yl)-phenyl]-8-trifluoromethoxy-1,3-dihydro-benzo[b][1,4]diazepin-2-one

출처 및 근거

ORD 기록
ord-339fa24cd2b54c8697a12a6b2b4dc866
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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