Ethanol → N-[6-[3-[4-(Diphenylmethoxy)piperidino]propylamino][1,2,4]triazolo[4,3-b]pyridazine-3-carbonyl]-2,2-dimethylglycine
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([NH:6][C:7](=[O:8])[c:9]1[n:10][n:11][c:12]2[n:13]1[n:14][c:15]([NH:18][CH2:19][CH2:20][CH2:21][N:22]1[CH2:23][CH2:24][CH:25]([O:28][CH:29]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH2:26][CH2:27]1)[cH:16][cH:17]2)([CH3:42])[CH3:43])=[O:44].[CH3:47][CH2:48][OH:49].[Na+:46].[OH-:45]>>[O:3]=[C:4]([C:5]([NH:6][C:7](=[O:8])[c:9]1[n:10][n:11][c:12]2[n:13]1[n:14][c:15]([NH:18][CH2:19][CH2:20][CH2:21][N:22]1[CH2:23][CH2:24][CH:25]([O:28][CH:29]([c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[CH2:26][CH2:27]1)[cH:16][cH:17]2)([CH3:42])[CH3:43])[OH:44]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-e7a82f0faa894805a4ba900ce3c63c5d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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