Isopropanol → 1-[3-[2-[6-[5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-3-yl]hexoxy]ethoxymethyl]phenyl]-3-(3-iodophenyl)urea
Reaction equation
[CH:47]([OH:48])([CH3:49])[CH3:50].[Cl:51][CH2:52][Cl:53].[I:1][c:2]1[cH:3][c:4]([N:8]=[C:9]=[O:10])[cH:5][cH:6][cH:7]1.[NH2:11][c:12]1[cH:13][c:14]([CH2:18][O:19][CH2:20][CH2:21][O:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][N:29]2[C:30](=[O:46])[O:31][CH:32]([c:34]3[cH:35][c:36]4[c:37]([cH:44][cH:45]3)[O:38][C:39]([CH3:42])([CH3:43])[O:40][CH2:41]4)[CH2:33]2)[cH:15][cH:16][cH:17]1>>[I:1][c:2]1[cH:3][c:4]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][c:14]([CH2:18][O:19][CH2:20][CH2:21][O:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][N:29]3[C:30](=[O:46])[O:31][CH:32]([c:34]4[cH:35][c:36]5[c:37]([cH:44][cH:45]4)[O:38][C:39]([CH3:42])([CH3:43])[O:40][CH2:41]5)[CH2:33]3)[cH:15][cH:16][cH:17]2)[cH:5][cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-f60c33fbb43f4bd6a5dba300d3f96813
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…