Sodium ion → N-Methyl-N-(3-{2-[4-(4-methyl-piperazin-1-yl)-phenylamino]-pyrrolo[2,1-f][1,2,4]triazin-7-yl}-benzyl)-methanesulfonamide

HRID 141651Notes

Reaction equation

HRID 141651 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH:14][c:15]3[n:16][n:17]4[c:18]([cH:19][n:20]3)[cH:21][cH:22][c:23]4-[c:24]3[cH:25][c:26]([CH2:30][OH:31])[cH:27][cH:28][cH:29]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][S:40](=[O:41])(=[O:42])[Cl:43].[CH3:44][S:45]([OH:46])(=[O:47])=[O:48].[CH3:49][NH:50][S:51](=[O:52])(=[O:53])[CH3:54].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[H-:55].[Na+:56]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH:14][c:15]3[n:16][n:17]4[c:18]([cH:19][n:20]3)[cH:21][cH:22][c:23]4-[c:24]3[cH:25][c:26]([CH2:30][N:50]([CH3:49])[S:51](=[O:52])(=[O:53])[CH3:54])[cH:27][cH:28][cH:29]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 6228DimethylformamideHCID 6395Methanesulfonic AcidHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 97632N-MethylmethanesulfonamideHCID 166653HydrideHCID 66711788(3-{2-[4-(4-Methyl-piperazin-1-yl)-phenylamino]-pyrrolo[2,1-f][1,2,4]triazin-7-yl}-phenyl)-methanol

Product 1

HCID 66712312N-Methyl-N-(3-{2-[4-(4-methyl-piperazin-1-yl)-phenylamino]-pyrrolo[2,1-f][1,2,4]triazin-7-yl}-benzyl)-methanesulfonamide

Sources & evidence

ORD record
ord-26267cfcddce46c0acae54e50e851e71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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