Toluene → 4-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(2,5-dimethylpiperazin-1-yl)methyl]-N,N-diethylbenzamide
Reaction equation
[CH2:1]([CH3:2])[N:3]([C:4]([c:5]1[cH:6][cH:7][c:8]([CH:11]([c:12]2[cH:13][c:14]([O:18][Si:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[CH3:25])[cH:15][cH:16][cH:17]2)[Cl:26])[cH:9][cH:10]1)=[O:27])[CH2:28][CH3:29].[CH3:30][CH:31]1[NH:32][CH2:33][CH:34]([CH3:37])[NH:35][CH2:36]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH2:1]([CH3:2])[N:3]([C:4]([c:5]1[cH:6][cH:7][c:8]([CH:11]([c:12]2[cH:13][c:14]([O:18][Si:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[CH3:25])[cH:15][cH:16][cH:17]2)[N:32]2[CH:31]([CH3:30])[CH2:36][NH:35][CH:34]([CH3:37])[CH2:33]2)[cH:9][cH:10]1)=[O:27])[CH2:28][CH3:29]Participants
4
Sources & evidence
- ORD record
- ord-c9888ae6581d47afbcedb6993c38bf93
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
- DOI