Dimethyl Sulfoxide → 1-(4-{7-[2-(4-Methyl-piperazin-1-yl)-pyrimidin-5-yl]-imidazo[1,2-a]pyridin-3-yl}-phenyl)-3-(3-trifluoromethyl-phenyl)-urea

HRID 196124Notes

Reaction equation

HRID 196124 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][cH:10][c:11](-[c:14]3[cH:15][c:16]4[n:17]([cH:18][cH:19]3)[c:20](-[c:23]3[cH:24][cH:25][c:26]([NH2:29])[cH:27][cH:28]3)[cH:21][n:22]4)[cH:12][n:13]2)[CH2:6][CH2:7]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][S:51]([CH3:52])=[O:53].[F:30][C:31]([c:32]1[cH:33][c:34]([N:38]=[C:39]=[O:40])[cH:35][cH:36][cH:37]1)([F:41])[F:42]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[n:9][cH:10][c:11](-[c:14]3[cH:15][c:16]4[n:17]([cH:18][cH:19]3)[c:20](-[c:23]3[cH:24][cH:25][c:26]([NH:29][C:39]([NH:38][c:34]5[cH:33][c:32]([C:31]([F:30])([F:41])[F:42])[cH:37][cH:36][cH:35]5)=[O:40])[cH:27][cH:28]3)[cH:21][n:22]4)[cH:12][n:13]2)[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 8471TriethylamineHCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 685432324-{7-[2-(4-Methyl-piperazin-1-yl)-pyrimidin-5-yl]-imidazo[1,2-a]pyridin-3-yl}-phenylamine

Product 1

HCID 578634351-(4-{7-[2-(4-Methyl-piperazin-1-yl)-pyrimidin-5-yl]-imidazo[1,2-a]pyridin-3-yl}-phenyl)-3-(3-trifluoromethyl-phenyl)-urea

Sources & evidence

ORD record
ord-cf0e304dbf8b4aae8383ae2dada2d282
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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