Calcium Cation → 2,6-Dimethyl-4-[2-(2-methylphenyl)acetamido]phenyl thiocyanate
Reaction equation
[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:1][c:2]1[c:3]([CH2:8][C:9](=[O:10])[Cl:11])[cH:4][cH:5][cH:6][cH:7]1.[Ca+2:12].[ClH:29].[NH2:17][c:18]1[cH:19][c:20]([CH3:28])[c:21]([S:25][C:26]#[N:27])[c:22]([CH3:24])[cH:23]1.[O-:13][C:14](=[O:15])[O-:16].[OH2:35]>>[CH3:1][c:2]1[c:3]([CH2:8][C:9](=[O:10])[NH:17][c:18]2[cH:19][c:20]([CH3:28])[c:21]([S:25][C:26]#[N:27])[c:22]([CH3:24])[cH:23]2)[cH:4][cH:5][cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-dc744ecbec43479b91a0f847034ca5e4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…