Ammonium → 2-(4-fluorophenyl)-N-(6-methoxypyridin-3-yl)-5-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)pyrimidin-4-amine

HRID 156025Notes

Reaction equation

HRID 156025 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[Cl-:49].[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:17]2[n:18][c:19]([S:24][CH3:25])[n:20][c:21]([CH3:23])[n:22]2)[c:6]([NH:8][c:9]2[cH:10][n:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:7]1.[Cs+:40].[Cs+:41].[F:26][c:27]1[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1.[NH4+:50].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH2:48]>>[c:2]1(-[c:30]2[cH:29][cH:28][c:27]([F:26])[cH:32][cH:31]2)[n:3][cH:4][c:5](-[c:17]2[n:18][c:19]([S:24][CH3:25])[n:20][c:21]([CH3:23])[n:22]2)[c:6]([NH:8][c:9]2[cH:10][n:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[n:7]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 2856454-Fluorophenylboronic acidHCID 866470542-chloro-N-(6-methoxypyridin-3-yl)-5-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)pyrimidin-4-amine

Product 1

HCID 665998562-(4-fluorophenyl)-N-(6-methoxypyridin-3-yl)-5-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)pyrimidin-4-amine

Sources & evidence

ORD record
ord-ff4178e4138c4d119c77eb7f18fe5649
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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