Ethyl Acetate → 1-(3,4-Methylenedioxyphenyl)-2-(5-bromopyrimidin-2-yl)-2,3,4,9-tetrahydro-1H-beta-carboline
Reaction equation
[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH:10]3[NH:11][CH2:12][CH2:13][c:14]4[c:15]5[cH:16][cH:17][cH:18][cH:19][c:20]5[nH:21][c:22]43)[cH:6][cH:7][c:8]2[O:9]1.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:23][c:24]1[n:25][cH:26][c:27]([Br:30])[cH:28][n:29]1>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH:10]3[N:11]([c:24]4[n:25][cH:26][c:27]([Br:30])[cH:28][n:29]4)[CH2:12][CH2:13][c:14]4[c:15]5[cH:16][cH:17][cH:18][cH:19][c:20]5[nH:21][c:22]43)[cH:6][cH:7][c:8]2[O:9]1Participants
5
Sources & evidence
- ORD record
- ord-8695fb484dc54e2484cf3221492a43d3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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