1,3-Dibromo-5,5-dimethylhydantoin → Tert-butyl 4-[4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]piperazine-1-carboxylate
Reaction equation
[Br:30][N:31]1[C:32]([CH3:33])([CH3:34])[C:35](=[O:36])[N:37]([Br:38])[C:39]1=[O:40].[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[cH:8][cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[cH:15][cH:16]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8]([Br:30])[cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[cH:15][cH:16]1Participants
4
Sources & evidence
- ORD record
- ord-98be1722e6dd43d8934aa5b13188c42a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)