Toluene → 4-[6-(8-Cyclopropyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl ester

HRID 158623Notes

Reaction equation

HRID 158623 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH2:26][CH2:27][N:28]([c:31]2[cH:32][n:33][c:34]([NH2:37])[cH:35][cH:36]2)[CH2:29][CH2:30]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH:1]1([n:4]2[c:5](=[O:17])[cH:6][cH:7][c:8]3[c:9]2[n:10][c:11]([S:14]([CH3:15])=[O:16])[n:12][cH:13]3)[CH2:2][CH2:3]1>>[CH:1]1([n:4]2[c:5](=[O:17])[cH:6][cH:7][c:8]3[c:9]2[n:10][c:11]([NH:37][c:34]2[n:33][cH:32][c:31]([N:28]4[CH2:27][CH2:26][N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH2:30][CH2:29]4)[cH:36][cH:35]2)[n:12][cH:13]3)[CH2:2][CH2:3]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 107057548-cyclopropyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-oneHCID 11737525tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate

Product 1

HCID 101517634-[6-(8-Cyclopropyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-1c9cf567956747de81260ffe4476ad7f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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