Bicarbonate Ion → 3-(2,5-Dichloro-pyrimidin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide
Reaction equation
[C:19](=[O:20])([OH:21])[O-:22].[CH3:34][OH:35].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[Cl:24][c:25]1[n:26][cH:27][c:28]([Cl:32])[c:29]([Cl:31])[n:30]1.[NH2:1][CH:2]1[CH:3]([C:9](=[O:10])[NH2:11])[CH:4]2[CH:5]=[CH:6][CH:7]1[CH2:8]2.[Na+:23].[OH2:33].[OH2:36].[OH:12][C:13]([C:14]([F:15])([F:16])[F:17])=[O:18]>>[NH:1]([CH:2]1[CH:3]([C:9](=[O:10])[NH2:11])[CH:4]2[CH:5]=[CH:6][CH:7]1[CH2:8]2)[c:29]1[c:28]([Cl:32])[cH:27][n:26][c:25]([Cl:24])[n:30]1Participants
9
Sources & evidence
- ORD record
- ord-c3f830dbbf1a487387477130fe9a7f8c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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