4-(Methylcarbamoyl)benzeneboronic acid → 4-(2-{2-Methoxy-4-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-phenylamino}-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-methyl-benzamide

HRID 208247

Reaction equation

HRID 208247 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:11][c:12]3[c:13]([O:31][CH3:32])[cH:14][c:15]([N:18]4[CH2:19][CH2:20][CH:21]([N:24]5[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]5)[CH2:22][CH2:23]4)[cH:16][cH:17]3)[n:9][n:10]12.[CH3:33][NH:34][C:35](=[O:36])[c:37]1[cH:38][cH:39][c:40]([B:43]([OH:44])[OH:45])[cH:41][cH:42]1>>[c:2]1(-[c:40]2[cH:39][cH:38][c:37]([C:35]([NH:34][CH3:33])=[O:36])[cH:42][cH:41]2)[cH:3][cH:4][c:5]2[cH:6][n:7][c:8]([NH:11][c:12]3[c:13]([O:31][CH3:32])[cH:14][c:15]([N:18]4[CH2:19][CH2:20][CH:21]([N:24]5[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]5)[CH2:22][CH2:23]4)[cH:16][cH:17]3)[n:9][n:10]12

Participants

3

Reactant 2

HCID 27735264-(Methylcarbamoyl)benzeneboronic acidHCID 66711255(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-{2-methoxy-4-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-phenyl}-amine

Product 1

HCID 667115164-(2-{2-Methoxy-4-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-phenylamino}-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-methyl-benzamide

Sources & evidence

ORD record
ord-cf35440274bf4a9cad54e4f252194fbe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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