Sodium ion → {3-[3-(2-cyano-benzyl)-5-methyl-4-oxo-4,5-dihydro-3H-1,3,5,6-tetraaza-cyclopenta[a]naphthalen-2-yl]-cyclohexyl}-carbamic acid benzyl ester
Reaction equation
[C:37](#[N:38])[c:39]1[c:40]([CH2:41][Br:42])[cH:43][cH:44][cH:45][cH:46]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]1[CH2:12][CH:13]([c:17]2[nH:18][c:19]3[c:20]([c:21]4[cH:22][cH:23][cH:24][n:25][c:26]4[n:27]([CH3:30])[c:28]3=[O:29])[n:31]2)[CH2:14][CH2:15][CH2:16]1)=[O:32].[H-:34].[H:35][H:36].[Na+:33].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]1[CH2:12][CH:13]([c:17]2[n:18]([CH2:41][c:40]3[c:39]([C:37]#[N:38])[cH:46][cH:45][cH:44][cH:43]3)[c:19]3[c:20]([c:21]4[cH:22][cH:23][cH:24][n:25][c:26]4[n:27]([CH3:30])[c:28]3=[O:29])[n:31]2)[CH2:14][CH2:15][CH2:16]1)=[O:32]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-92b2ecb6b6984dfa9cf8aec5961befb2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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