Water → 4-Phenyl-6-phenylethynylpyrimidin-2-ylamine
Reaction equation
[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[Cl:1][c:2]1[n:3][c:4]([NH2:14])[n:5][c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1.[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[OH2:35].[Pd:36]([Cl:37])[Cl:38].[c:22]1([C:28]#[CH:29])[cH:23][cH:24][cH:25][cH:26][cH:27]1.[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[c:2]1([C:29]#[C:28][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[n:3][c:4]([NH2:14])[n:5][c:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-fd70d70172c147708e3078a15dda9eaf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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