Dichloromethane → N,N-dimethyl-N'-[4-(1-methyl-4-{2-[2-(1-piperazinyl)-5-pyrimidinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-1H-pyrazol-3-yl)phenyl]urea

HRID 2333858Notes

Reaction equation

HRID 2333858 reaction equation
[CH3:1][N:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][n:14]([CH3:45])[cH:15][c:16]2-[c:17]2[c:18]3[c:19]([n:20][cH:21][cH:22]2)[nH:23][c:24](-[c:26]2[cH:27][n:28][c:29]([N:32]4[CH2:33][CH2:34][N:35]([C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:36][CH2:37]4)[n:30][cH:31]2)[cH:25]3)[cH:10][cH:11]1)[CH3:46].[Cl:54][CH2:55][Cl:56].[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[CH3:1][N:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][n:14]([CH3:45])[cH:15][c:16]2-[c:17]2[c:18]3[c:19]([n:20][cH:21][cH:22]2)[nH:23][c:24](-[c:26]2[cH:27][n:28][c:29]([N:32]4[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]4)[n:30][cH:31]2)[cH:25]3)[cH:10][cH:11]1)[CH3:46]

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 689990501,1-dimethylethyl 4-(5-{4-[3-(4-{[(dimethylamino)carbonyl]amino}phenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl}-2-pyrimidinyl)-1-piperazinecarboxylate

Product 1

HCID 58980065N,N-dimethyl-N'-[4-(1-methyl-4-{2-[2-(1-piperazinyl)-5-pyrimidinyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-1H-pyrazol-3-yl)phenyl]urea

Sources & evidence

ORD record
ord-5a71d161603e44a3b2b5599b798460f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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