Dimethyl Sulfoxide → 1-(5-tert-Butyl-isoxazol-3-yl)-3-(4-{7-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-imidazo[1,2-a]pyridin-3-yl}-benzyl)-urea

HRID 145593Notes

Reaction equation

HRID 145593 reaction equation
[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:58][S:59]([CH3:60])=[O:61].[Cl:33][C:34]([Cl:35])([Cl:48])[CH2:49][O:36][C:37]([NH:38][c:39]1[n:40][o:41][c:42]([C:44]([CH3:45])([CH3:46])[CH3:47])[cH:43]1)=[O:50].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][n:11][c:12]3[n:13]2[cH:14][cH:15][c:16](-[c:18]2[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]4[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]4)[cH:22][cH:23]2)[cH:17]3)[cH:7][cH:8]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][n:11][c:12]3[n:13]2[cH:14][cH:15][c:16](-[c:18]2[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]4[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]4)[cH:22][cH:23]2)[cH:17]3)[cH:7][cH:8]1)[C:37](=[O:36])[NH:38][c:39]1[n:40][o:41][c:42]([C:44]([CH3:45])([CH3:46])[CH3:47])[cH:43]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 8471TriethylamineHCID 22768171HCID 22768171, compoundHCID 68541610[4-[3-[4-(Aminomethyl)phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

Product 1

HCID 578634301-(5-tert-Butyl-isoxazol-3-yl)-3-(4-{7-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-imidazo[1,2-a]pyridin-3-yl}-benzyl)-urea

Sources & evidence

ORD record
ord-0b408c01c6f84ac49b8d96eb5b1b984b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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