Pyridine → 1-benzyl-3-(3,4-difluorobenzylcarbamoyl)-2-isopropyl-1H-indol-6-yl Dimethylcarbamate

반응식

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

참가 물질

반응물 3

HCID 1049Pyridine

HCID 6598Dimethylcarbamoyl Chloride

HCID 251607401-Benzyl-N-(3,4-difluorobenzyl)-6-hydroxy-2-isopropyl-1H-indole-3-carboxamide

생성물 1

HCID 442327831-benzyl-3-(3,4-difluorobenzylcarbamoyl)-2-isopropyl-1H-indol-6-yl Dimethylcarbamate

출처 및 근거

ORD 기록: ord-45cbcc06e2074c768c504b5a1b5e38ad
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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