p-Toluenesulfonic acid → HCID 13446049, compound

HRID 165192Notes

Reaction equation

HRID 165192 reaction equation
[CH3:25][CH:26]([CH3:27])[NH2:28].[Cl:29][CH2:30][Cl:31].[O:1]1[CH2:2][C:3](=[O:13])[CH2:4][C:5](=[O:12])[c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2.[c:14]1([CH3:15])[cH:16][cH:17][c:18]([S:19]([OH:20])(=[O:21])=[O:22])[cH:23][cH:24]1>>[O:1]1[CH2:2][C:3]([NH:28][CH:26]([CH3:25])[CH3:27])=[CH:4][C:5](=[O:12])[c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2

Participants

5

Reactant 4

HCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 6363IsopropylamineHCID 3196771-Benzoxepin-3,5(2H,4H)-dione

Product 1

HCID 13446049HCID 13446049, compound

Sources & evidence

ORD record
ord-52863cfc38df4197b2c0e8f98258f8d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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