N-methyl-2-pyrrolidone → [5-Bromo-7-(4-methanesulfonyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine

HRID 1551756Notes

Reaction equation

HRID 1551756 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[c:14]2[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[CH3:23])[cH:18][cH:19]2)[n:5]2[n:6][c:7]([S:11]([CH3:12])=[O:13])[n:8][cH:9][c:10]12.[CH3:24][N:25]1[CH2:26][CH2:27][N:28]([c:31]2[cH:32][cH:33][c:34]([NH2:37])[cH:35][cH:36]2)[CH2:29][CH2:30]1.[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][C:43]1=[O:44]>>[Br:1][c:2]1[cH:3][c:4](-[c:14]2[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[CH3:23])[cH:18][cH:19]2)[n:5]2[n:6][c:7]([NH:37][c:34]3[cH:33][cH:32][c:31]([N:28]4[CH2:27][CH2:26][N:25]([CH3:24])[CH2:30][CH2:29]4)[cH:36][cH:35]3)[n:8][cH:9][c:10]12

Participants

4

Reactant 3

HCID 13387N-methyl-2-pyrrolidoneHCID 7372534-(4-Methylpiperazin-1-yl)anilineHCID 667113545-Bromo-2-methanesulfinyl-7-(4-methanesulfonyl-phenyl)-pyrrolo[2,1-f][1, 2,4]triazine

Product 1

HCID 66710869[5-Bromo-7-(4-methanesulfonyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine

Sources & evidence

ORD record
ord-8ec0ea59794b49688d4a32bfb949bfde
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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