1-Butanol → 3-(4-{6-[(5-Cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl}piperazin-1-yl)-N-methylpyrrolidine-1-carboxamide

HRID 695975Notes

Reaction equation

HRID 695975 reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH3:16][NH:17][C:18](=[O:19])[N:20]1[CH2:21][CH:22]([N:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[CH2:23][CH2:24]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[s:10][c:11]([C:14]#[N:15])[cH:12][n:13]2)[n:5][cH:6][n:7]1>>[c:2]1([N:28]2[CH2:27][CH2:26][N:25]([CH:22]3[CH2:21][N:20]([C:18]([NH:17][CH3:16])=[O:19])[CH2:24][CH2:23]3)[CH2:30][CH2:29]2)[cH:3][c:4]([NH:8][c:9]2[s:10][c:11]([C:14]#[N:15])[cH:12][n:13]2)[n:5][cH:6][n:7]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 116873242-[(6-Chloropyrimidin-4-yl)amino]-1,3-thiazole-5-carbonitrileHCID 21934633N-methyl-3-piperazin-1-ylpyrrolidine-1-carboxamide

Product 1

HCID 219346793-(4-{6-[(5-Cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl}piperazin-1-yl)-N-methylpyrrolidine-1-carboxamide

Sources & evidence

ORD record
ord-c1e7810f664845d1867bb8a8f558bfe9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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