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

HRID 301919Notes

Reaction equation

HRID 301919 reaction equation
[N:1]1([S:6](=[O:7])(=[O:8])[c:9]2[cH:10][c:11](-[c:15]3[cH:16][cH:17][c:18]4[cH:19][n:20][c:21]([OH:24])[n:22][n:23]34)[cH:12][cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[NH2:25][c:26]1[cH:27][c:28]([CH:32]2[C:33](=[O:40])[N:34]([CH3:39])[CH2:35][CH2:36][N:37]2[CH3:38])[cH:29][cH:30][cH:31]1>>[N:1]1([S:6](=[O:7])(=[O:8])[c:9]2[cH:10][c:11](-[c:15]3[cH:16][cH:17][c:18]4[cH:19][n:20][c:21]([NH:25][c:26]5[cH:27][c:28]([CH:32]6[C:33](=[O:40])[N:34]([CH3:39])[CH2:35][CH2:36][N:37]6[CH3:38])[cH:29][cH:30][cH:31]5)[n:22][n:23]34)[cH:12][cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

3

Reactant 2

HCID 574160813-(3-Aminophenyl)-1,4-dimethylpiperazin-2-oneHCID 1785273247-[3-(Pyrrolidine-1-sulfonyl)-phenyl]-pyrrolo[2,1-f][1,2,4]triazin-2-ol

Product 1

HCID 667123671,4-Dimethyl-3-(3-{7-[3-(pyrrolidine-1-sulfonyl)-phenyl]-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino}-phenyl)-piperazin-2-one

Sources & evidence

ORD record
ord-2b9d2ef8415446fca6d8594eb92631de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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