Dimethylformamide → (2-{2-[4-(4-Methyl-piperazin-1-yl)-phenylamino]-pyrrolo[2,1-f][1,2,4]triazin-7-yl}-phenyl)-methanol

HRID 121627Notes

Reaction equation

HRID 121627 reaction equation
[B:25]1([OH:34])[O:26][CH2:27][c:28]2[c:29]1[cH:30][cH:31][cH:32][cH:33]2.[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:11][c:12]3[cH:13][cH:14][c:15]([N:18]4[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]4)[cH:16][cH:17]3)[n:9][n:10]12.[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cs+:39].[Cs+:40]>>[c:2]1(-[c:29]2[c:28]([CH2:27][OH:26])[cH:33][cH:32][cH:31][cH:30]2)[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:11][c:12]3[cH:13][cH:14][c:15]([N:18]4[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]4)[cH:16][cH:17]3)[n:9][n:10]12

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 4037881-Hydroxy-2,1-benzoxaboroleHCID 66711200(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine

Product 1

HCID 66712560(2-{2-[4-(4-Methyl-piperazin-1-yl)-phenylamino]-pyrrolo[2,1-f][1,2,4]triazin-7-yl}-phenyl)-methanol

Sources & evidence

ORD record
ord-a5f2c4ccca004094b7c4acd37c0f8a86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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