Hydrogen Bromide → 4-(4-(4-(4-(3-Cyanopyridin-2-yl)piperazinyl)butyl)-phenyl)-2-amino-thiazole
Reaction equation
[BrH:1].[C:19](#[N:20])[c:21]1[c:22]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[n:23][cH:24][cH:25][cH:26]1.[CH3:50][C:51]([CH2:52][CH:53]([CH3:54])[CH3:55])=[O:56].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:2][CH2:3][CH2:4][CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([NH2:18])[s:16][cH:17]2)[cH:11][cH:12]1.[I-:49].[Na+:42].[Na+:43].[Na+:48].[O-:44][C:45](=[O:46])[O-:47]>>[CH2:3]([CH2:4][CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[n:14][c:15]([NH2:18])[s:16][cH:17]2)[cH:11][cH:12]1)[N:30]1[CH2:29][CH2:28][N:27]([c:22]2[c:21]([C:19]#[N:20])[cH:26][cH:25][cH:24][n:23]2)[CH2:32][CH2:31]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-cb4263fbb24d45fda381cf6c9f83ac04
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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