Methanol → N-[2-[2-[4-[[4-(2,3-dihydroxypropyl)piperazin-1-yl]methyl]-2-methoxyanilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide

HRID 207653Notes

Reaction equation

HRID 207653 reaction equation
[CH3:1][O:2][c:3]1[c:4]([NH:16][c:17]2[n:18][n:19]3[c:20]([cH:21][n:22]2)[cH:23][cH:24][c:25]3-[c:26]2[c:27]([N:32]([S:33](=[O:34])(=[O:35])[CH3:36])[CH3:37])[cH:28][cH:29][cH:30][cH:31]2)[cH:5][cH:6][c:7]([CH2:9][N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:8]1.[CH3:43][OH:44].[O:38]1[CH:39]([CH2:41][OH:42])[CH2:40]1>>[CH3:1][O:2][c:3]1[c:4]([NH:16][c:17]2[n:18][n:19]3[c:20]([cH:21][n:22]2)[cH:23][cH:24][c:25]3-[c:26]2[c:27]([N:32]([S:33](=[O:34])(=[O:35])[CH3:36])[CH3:37])[cH:28][cH:29][cH:30][cH:31]2)[cH:5][cH:6][c:7]([CH2:9][N:10]2[CH2:11][CH2:12][N:13]([CH2:40][CH:39]([OH:38])[CH2:41][OH:42])[CH2:14][CH2:15]2)[cH:8]1

Participants

4

Reactant 3

HCID 887MethanolHCID 11164GlycidolHCID 66711969N-{2-[2-(2-Methoxy-4-piperazin-1-ylmethyl-phenylamino)-pyrrolo[2,1-f][1,2,4]triazin-7-yl]-phenyl}-N-methyl-methanesulfonamide

Product 1

HCID 66712707N-[2-[2-[4-[[4-(2,3-dihydroxypropyl)piperazin-1-yl]methyl]-2-methoxyanilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide

Sources & evidence

ORD record
ord-a0cb3be86b5c42cc9724422b915f6277
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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