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

반응식

[NH2:26][c:27]1[cH:28][cH:29][c:30]([CH:33]2[C:34](=[O:41])[N:35]([CH3:40])[CH2:36][CH2:37][N:38]2[CH3:39])[cH:31][cH:32]1.[O:1]1[CH2:2][CH2:3][N:4]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][c:12](-[c:16]3[cH:17][cH:18][c:19]4[cH:20][n:21][c:22]([OH:25])[n:23][n:24]34)[cH:13][cH:14][cH:15]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([S:7](=[O:8])(=[O:9])[c:10]2[cH:11][c:12](-[c:16]3[cH:17][cH:18][c:19]4[cH:20][n:21][c:22]([NH:26][c:27]5[cH:28][cH:29][c:30]([CH:33]6[C:34](=[O:41])[N:35]([CH3:40])[CH2:36][CH2:37][N:38]6[CH3:39])[cH:31][cH:32]5)[n:23][n:24]34)[cH:13][cH:14][cH:15]2)[CH2:5][CH2:6]1

참가 물질

반응물 2

HCID 576251203-(4-Aminophenyl)-1,4-dimethylpiperazin-2-one

HCID 1785273257-[3-(Morpholine-4-sulfonyl)-phenyl]-pyrrolo[2,1-f][1,2,4]triazin-2-ol

생성물 1

HCID 667113441,4-Dimethyl-3-(4-{7-[3-(morpholine-4-sulfonyl)-phenyl]-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino}-phenyl)-piperazin-2-one

출처 및 근거

ORD 기록: ord-b2a22ddc146f46b0ae435114f021911a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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