Toluene → HCID 135621876, compound

HRID 697829Notes

Reaction equation

HRID 697829 reaction equation
[CH3:1][O:2][c:3]1[c:4]([CH:11]2[CH2:12][C:13]([c:18]3[c:19](=[O:26])[o:20][c:21]([CH3:25])[cH:22][c:23]3[OH:24])=[N:14][CH2:15][CH2:16][S:17]2)[cH:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:27][C:28]1=[C:39]([Cl:40])[C:37](=[O:38])[C:34]([C:35]#[N:36])=[C:31]([C:32]#[N:33])[C:29]1=[O:30]>>[CH3:1][O:2][c:3]1[c:4]([C:11]2=[CH:12][C:13]([c:18]3[c:19](=[O:26])[o:20][c:21]([CH3:25])[cH:22][c:23]3[OH:24])=[N:14][CH2:15][CH2:16][S:17]2)[cH:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 67752,3-Dichloro-5,6-dicyano-1,4-benzoquinoneHCID 1354004393-(7-(2,4-Dimethoxyphenyl)-2,3,6,7-tetrahydro-(1,4)thiazepin-5-yl)-4-hydroxy-6-methylpyran-2-one

Product 1

HCID 135621876HCID 135621876, compound

Sources & evidence

ORD record
ord-3eb3548445fa4055941bd65beaa97e31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…