Chloride → 4-[1-(tert-butyldimethylsilanyloxy)-2-(1-trityl-1H-imidazol-4-ylmethoxy)ethyl]benzonitrile
Reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[Si:17]([O:18][CH:19]([C:20](=[O:21])[O:22][CH2:23][c:24]1[n:25][cH:26][n:27]([C:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:28]1)[c:48]1[cH:49][cH:50][c:51]([C:54]#[N:55])[cH:52][cH:53]1)([CH3:56])[CH3:57].[CH2:58]([SiH:59]([CH2:60][CH3:61])[CH2:62][CH3:63])[CH3:64].[Cl-:68].[Cl-:69].[Cl-:70].[Cl-:71].[Cl:65][CH2:66][Cl:67].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][Si:7]([CH3:8])([CH3:9])[CH3:10])(=[O:11])=[O:12].[Ti+4:72]>>[C:13]([CH3:14])([CH3:15])([CH3:16])[Si:17]([O:18][CH:19]([CH2:20][O:22][CH2:23][c:24]1[n:25][cH:26][n:27]([C:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:28]1)[c:48]1[cH:49][cH:50][c:51]([C:54]#[N:55])[cH:52][cH:53]1)([CH3:56])[CH3:57]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-3df3762de6114c9b94d1750a2dd3dda0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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