Dimethylamine → 1-[2-({2-[(6-Amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]-3-(dimethylamino)pyrrolidine-2,5-dione

반응식

[CH3:1][NH:2][CH3:3].[NH2:4][c:5]1[c:6]([N+:36](=[O:37])[O-:38])[cH:7][cH:8][c:9]([NH:11][CH2:12][CH2:13][NH:14][c:15]2[n:16][cH:17][c:18]([N:29]3[C:30](=[O:35])[CH:31]=[CH:32][C:33]3=[O:34])[c:19](-[c:21]3[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[n:20]2)[n:10]1>>[CH3:1][N:2]([CH3:3])[CH:31]1[C:30](=[O:35])[N:29]([c:18]2[cH:17][n:16][c:15]([NH:14][CH2:13][CH2:12][NH:11][c:9]3[cH:8][cH:7][c:6]([N+:36](=[O:37])[O-:38])[c:5]([NH2:4])[n:10]3)[n:20][c:19]2-[c:21]2[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[C:33](=[O:34])[CH2:32]1

참가 물질

반응물 2

HCID 674Dimethylamine

HCID 221430891-[2-({2-[(6-Amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]-3-pyrroline-2,5-dione

생성물 1

HCID 221426081-[2-({2-[(6-Amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]-3-(dimethylamino)pyrrolidine-2,5-dione

출처 및 근거

ORD 기록: ord-4da016ea738b491b85be7a09d5e027c6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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