Toluene → HCID 67054623, compound

HRID 2162610Notes

Reaction equation

HRID 2162610 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][C:17]([CH2:18][O:19][C:20]([c:21]2[c:22]([N+:27](=[O:28])[O-:29])[cH:23][cH:24][cH:25][cH:26]2)=[O:30])([CH2:31][OH:32])[NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[cH:13][cH:14]1.[CH3:41][O:42][C:43]([CH3:44])([CH3:45])[O:46][CH3:47].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:48]1([CH3:49])[cH:50][cH:51][c:52]([S:53]([OH:54])(=[O:55])=[O:56])[cH:57][cH:58]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][C:17]2([CH2:18][O:19][C:20]([c:21]3[c:22]([N+:27](=[O:28])[O-:29])[cH:23][cH:24][cH:25][cH:26]3)=[O:30])[CH2:31][O:32][C:43]([CH3:44])([CH3:45])[N:33]2[C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[cH:13][cH:14]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 64952,2-DimethoxypropaneHCID 67054589HCID 67054589, compound

Product 1

HCID 67054623HCID 67054623, compound

Sources & evidence

ORD record
ord-627ad16bdbd247019bf99b58c98017d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…