Dichloromethane → N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(2-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide

반응식

[CH3:8][c:9]1[c:10]([CH2:17][NH:18][C:19](=[O:20])[c:21]2[c:22]3[c:23]([CH3:53])[cH:24][n:25]([CH:50]([CH3:51])[CH3:52])[c:26]3[cH:27][c:28](-[c:30]3[cH:31][cH:32][c:33]([N:36]4[CH:37]([CH3:49])[CH2:38][N:39]([C:42]([O:43][C:44]([CH3:45])([CH3:46])[CH3:47])=[O:48])[CH2:40][CH2:41]4)[n:34][cH:35]3)[cH:29]2)[c:11](=[O:16])[nH:12][c:13]([CH3:15])[cH:14]1.[Cl:54][CH2:55][Cl:56].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[CH3:8][c:9]1[c:10]([CH2:17][NH:18][C:19](=[O:20])[c:21]2[c:22]3[c:23]([CH3:53])[cH:24][n:25]([CH:50]([CH3:51])[CH3:52])[c:26]3[cH:27][c:28](-[c:30]3[cH:31][cH:32][c:33]([N:36]4[CH:37]([CH3:49])[CH2:38][NH:39][CH2:40][CH2:41]4)[n:34][cH:35]3)[cH:29]2)[c:11](=[O:16])[nH:12][c:13]([CH3:15])[cH:14]1

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 71269601HCID 71269601, 화합물

생성물 1

HCID 68210034N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(2-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide

출처 및 근거

ORD 기록: ord-c9335083cbb642f09e45b3cbd2da7ce5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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