Toluene → HCID 66819608, compound

HRID 2334861Notes

Reaction equation

HRID 2334861 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([C:9]([CH2:10][O:11][c:12]2[c:13]([C:14](=[O:15])[NH2:16])[cH:17][cH:18][cH:19][cH:20]2)=[O:21])[cH:6][cH:7][cH:8]1.[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[c:22]1([CH3:23])[cH:24][cH:25][c:26]([S:27]([OH:28])(=[O:29])=[O:30])[cH:31][cH:32]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:9]2=[CH:10][O:11][c:12]3[c:13]([cH:17][cH:18][cH:19][cH:20]3)[C:14](=[O:15])[NH:16]2)[cH:6][cH:7][cH:8]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 3283Diethyl EtherHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 43612366HCID 43612366, compound

Product 1

HCID 66819608HCID 66819608, compound

Sources & evidence

ORD record
ord-fefc0fea086d42fb86204572f9d1ffb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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