3-(3-Aminophenyl)-1,4-dimethylpiperazin-2-one → 3-{3-[7-(3-Methanesulfonyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-1,4-dimethyl-piperazin-2-one

반응식

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

참가 물질

반응물 2

HCID 574160813-(3-Aminophenyl)-1,4-dimethylpiperazin-2-one

HCID 178504720HCID 178504720, 화합물

생성물 1

HCID 468517093-{3-[7-(3-Methanesulfonyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-1,4-dimethyl-piperazin-2-one

출처 및 근거

ORD 기록: ord-ecc8b3859203482da6390677120296c3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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