Tetrahydrofuran → 4-Chloro-2-[(3-iodo-1-phenylpropyl)amino]-benzonitrile
Reaction equation
[Cl:34][c:35]1[cH:36][c:37]([NH:43][CH:44]([CH2:45][CH2:46][OH:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:38]([C:39]#[N:40])[cH:41][cH:42]1.[I-:32].[Li+:33].[O:20]=[C:21]([O:22][CH2:23][CH3:24])[N:25]=[N:26][C:27]([O:28][CH2:29][CH3:30])=[O:31].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[I:32][CH2:46][CH2:45][CH:44]([NH:43][c:37]1[cH:36][c:35]([Cl:34])[cH:42][cH:41][c:38]1[C:39]#[N:40])[c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1Participants
7
Sources & evidence
- ORD record
- ord-def12c110bb14c718291970c5d9ff627
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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