1,2-Dichloroethane → 4-[(4-butylphenyl)ethynyl]-N-[(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)methyl]-N-hexylbenzamide
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]2)[cH:9][cH:10]1.[CH2:22]([Cl:23])[CH2:24][Cl:25].[CH2:46]([CH2:47][CH2:48][CH2:49][CH2:50][CH3:51])[NH:52][CH2:53][c:54]1[cH:55][c:56]2[c:57]([cH:65][cH:66]1)[O:58][C:59]([CH3:63])([CH3:64])[O:60][C:61]2=[O:62].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:67][CH2:68][Cl:69].[ClH:26].[OH:27][n:28]1[c:29]2[c:30]([cH:31][cH:32][cH:33][cH:34]2)[n:35][n:36]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:19])[N:52]([CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51])[CH2:53][c:54]3[cH:55][c:56]4[c:57]([cH:65][cH:66]3)[O:58][C:59]([CH3:63])([CH3:64])[O:60][C:61]4=[O:62])[cH:20][cH:21]2)[cH:9][cH:10]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-28388ec30e9f417ba9d5b40e25882b08
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…