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Dichloromethane → racemic 5-(5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide

HRID 2129576
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인쇄 미리보기

반응식

HRID 2129576 반응식
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][c:10]2[n:11][cH:12][n:13][c:14]([O:18][c:19]3[cH:20][c:21]4[cH:22][cH:23][n:24]([C:28]([NH:29][c:30]5[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]5)=[O:40])[c:25]4[cH:26][cH:27]3)[c:15]2[CH:16]1[CH3:17])([CH3:5])([CH3:6])[CH3:7].[Cl:48][CH2:49][Cl:50].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47]>>[NH:8]1[CH2:9][c:10]2[n:11][cH:12][n:13][c:14]([O:18][c:19]3[cH:20][c:21]4[cH:22][cH:23][n:24]([C:28]([NH:29][c:30]5[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]5)=[O:40])[c:25]4[cH:26][cH:27]3)[c:15]2[CH:16]1[CH3:17]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 593944775-methyl-4-[1-(3-trifluoromethyl-phenylcarbamoyl)-1H-indol-5-yloxy]-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester

생성물 1

HCID 59394515racemic 5-(5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide

출처 및 근거

ORD 기록
ord-81d9abc8002d4eb691f9e0908535532a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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