Water → 4'-{[7-Butyl-4-(2,3-dimethyl-1,4-dioxaspiro[4.5]dec-8-yl)-5-oxo-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]3)[cH:27][cH:28]2)[c:7](=[O:21])[n:8]([CH:14]2[CH2:15][CH2:16][C:17](=[O:20])[CH2:18][CH2:19]2)[c:9]2[n:10]1[n:11][cH:12][n:13]2.[CH3:37][CH:38]([CH2:39][OH:40])[CH:41]([OH:42])[CH3:43].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[OH2:44].[c:45]1([CH3:46])[cH:47][cH:48][c:49]([S:50]([OH:51])(=[O:52])=[O:53])[cH:54][cH:55]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]3)[cH:27][cH:28]2)[c:7](=[O:21])[n:8]([CH:14]2[CH2:15][CH2:16][C:17]3([CH2:18][CH2:19]2)[O:20][CH:38]([CH3:37])[CH:41]([CH3:43])[O:42]3)[c:9]2[n:10]1[n:11][cH:12][n:13]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-db7c4d2a9c8344248da5e2ed3deba8be
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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