Bicarbonate Ion → 3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]oct-1-yl]-propionic acid chloromethyl ester
Reaction equation
[C:31](=[O:32])([OH:33])[O-:34].[CH2:48]([N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH3:64].[Cl:66][CH2:67][Cl:68].[Na+:35].[O:1]=[c:2]1[n:3]([CH2:28][CH2:29][CH3:30])[c:4](=[O:27])[c:5]2[nH:6][c:7]([C:14]34[CH2:15][CH2:16][C:17]([CH2:22][CH2:23][C:24](=[O:25])[OH:26])([CH2:18][CH2:19]3)[CH2:20][CH2:21]4)[n:8][c:9]2[n:10]1[CH2:11][CH2:12][CH3:13].[OH2:65].[S:36]([Cl:37])([O:38][CH2:40][Cl:41])(=[O:39])=[O:42].[S:43]([O-:44])([OH:45])(=[O:46])=[O:47]>>[O:1]=[c:2]1[n:3]([CH2:28][CH2:29][CH3:30])[c:4](=[O:27])[c:5]2[nH:6][c:7]([C:14]34[CH2:15][CH2:16][C:17]([CH2:22][CH2:23][C:24]([O:25][CH2:40][Cl:41])=[O:26])([CH2:18][CH2:19]3)[CH2:20][CH2:21]4)[n:8][c:9]2[n:10]1[CH2:11][CH2:12][CH3:13]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-6341f0b520804e04a3e2763d7bbc6915
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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