Ethanol → Tert-butyl 2-[[[4-(4-methoxyphenoxy)-2-(5-methylsulfanyl-3-pyridinyl)pyrimidin-5-yl]amino]methyl]pyrrolidine-1-carboxylate

HRID 2350691Notes

Reaction equation

HRID 2350691 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][NH:14][c:15]2[c:16]([O:22][c:23]3[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[n:17][c:18]([Cl:21])[n:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1.[CH3:31][S:32][c:33]1[cH:34][c:35]([B:39]([OH:40])[OH:41])[cH:36][n:37][cH:38]1.[CH3:48][CH2:49][OH:50].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[OH2:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][NH:14][c:15]2[c:16]([O:22][c:23]3[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[n:17][c:18](-[c:35]3[cH:34][c:33]([S:32][CH3:31])[cH:38][n:37][cH:36]3)[n:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1

Participants

8

Reactant 7

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 22392014(5-(Methylsulfanyl)pyridin-3-yl)boronic acidHCID 76713116Tert-butyl 2-[[[2-chloro-4-(4-methoxyphenoxy)pyrimidin-5-yl]amino]methyl]pyrrolidine-1-carboxylate

Product 1

HCID 67200007Tert-butyl 2-[[[4-(4-methoxyphenoxy)-2-(5-methylsulfanyl-3-pyridinyl)pyrimidin-5-yl]amino]methyl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-bfc0a92fd1844f81a1d5b331f30a4a6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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