Dichloromethane → tert-butyl N-[2-[[7-bromo-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 67184N-bromobutanimide

HCID 178480135HCID 178480135, 화합물

생성물 1

HCID 156396570tert-butyl N-[2-[[7-bromo-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]carbamate

출처 및 근거

ORD 기록: ord-78df7f7c74654868bd0872b1fd33b0b7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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