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Dichloromethane → 2-[3-(3-Methyl-isoxazol-5-yl)-phenyl]-8-morpholin-4-yl-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepine-7-carbonitrile

HRID 1124424
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반응식

HRID 1124424 반응식
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:22][C:23]([CH2:24][C:25](=[O:5])[c:27]2[cH:28][c:29](-[c:33]3[cH:34][c:35]([CH3:38])[n:36][o:37]3)[cH:30][cH:31][cH:32]2)=[O:39])[cH:10][c:11]([C:20]#[N:21])[c:12]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:13]1)([CH3:6])([CH3:26])[CH3:40].[Cl:48][CH2:49][Cl:50].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47]>>[N:7]1=[C:25]([c:27]2[cH:28][c:29](-[c:33]3[cH:34][c:35]([CH3:38])[n:36][o:37]3)[cH:30][cH:31][cH:32]2)[CH2:24][C:23](=[O:39])[NH:22][c:9]2[c:8]1[cH:13][c:12]([N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1)[c:11]([C:20]#[N:21])[cH:10]2
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참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86586993(4-Cyano-2-{3-[3-(3-methyl-isoxazol-5-yl)-phenyl]-3-oxo-propionylamino}-5-morpholin-4-yl-phenyl)-carbamic acid tert-butyl ester

생성물 1

HCID 185488362-[3-(3-Methyl-isoxazol-5-yl)-phenyl]-8-morpholin-4-yl-4-oxo-4,5-dihydro-3H-benzo[b][1,4]diazepine-7-carbonitrile

출처 및 근거

ORD 기록
ord-d890bd0f53b7419388bc80d6d4340fda
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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