Ethanolamine → 4-(2-Hydroxyethylamino)-2-methylsulfanyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
Reaction equation
[CH3:27][CH2:28][OH:29].[Cl:1][c:2]1[n:3][c:4]([S:21][CH3:22])[n:5][c:6]([N:10]2[CH2:11][CH2:12][c:13]3[c:14]([cH:17][cH:18][cH:19][cH:20]3)[CH2:15][CH2:16]2)[c:7]1[C:8]#[N:9].[NH2:23][CH2:24][CH2:25][OH:26]>>[c:2]1([NH:23][CH2:24][CH2:25][OH:26])[n:3][c:4]([S:21][CH3:22])[n:5][c:6]([N:10]2[CH2:11][CH2:12][c:13]3[c:14]([cH:17][cH:18][cH:19][cH:20]3)[CH2:15][CH2:16]2)[c:7]1[C:8]#[N:9]Participants
4
Sources & evidence
- ORD record
- ord-a21b3ddc3181459f800e55f609d05608
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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