Chloride → Ethyl 3-[4-[(4-oxo-1-tritylpiperidin-3-ylidene)methyl]pyrazol-1-yl]propanoate
Reaction equation
[C:33]([CH:34]=[CH2:35])(=[O:36])[O:37][CH2:38][CH3:39].[CH3:53][C:54]#[N:55].[Cl-:52].[N:40]12[CH2:41][CH2:42][CH2:43][N:44]=[C:45]1[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2.[Na+:51].[nH:1]1[n:2][cH:3][c:4]([CH:6]=[C:7]2[CH2:8][N:9]([C:14]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:10][CH2:11][C:12]2=[O:13])[cH:5]1>>[n:1]1([CH2:35][CH2:34][C:33](=[O:36])[O:37][CH2:38][CH3:39])[n:2][cH:3][c:4]([CH:6]=[C:7]2[CH2:8][N:9]([C:14]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:10][CH2:11][C:12]2=[O:13])[cH:5]1Participants
7
Sources & evidence
- ORD record
- ord-fb40334a4d6a4db9817aba2a34cc2969
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…