Dimethylformamide → 4-(4-chlorobenzyl)-6-methoxy-2-(3-(2-oxopyrrolidin-1-yl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione

반응식

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

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 702254-Bromobutyryl chloride

HCID 687024682-(3-aminophenyl)-4-(4-chlorobenzyl)-6-methoxy-1,2,4-triazine-3,5(2H,4H)-dione

생성물 1

HCID 251062074-(4-chlorobenzyl)-6-methoxy-2-(3-(2-oxopyrrolidin-1-yl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione

출처 및 근거

ORD 기록: ord-5e161e59add54a3ba7023c75b9c3c8fa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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