Dichloromethane → 2-Butenedioic acid

HRID 287050Notes

Reaction equation

HRID 287050 reaction equation
[C:28]([CH:29]=[CH:30][C:31](=[O:32])[O-:33])(=[O:34])[O-:35].[CH3:24][N:25]=[C:26]=[O:27].[Cl:36][CH2:37][Cl:38].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([NH:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[CH:18]2[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]2)[cH:6][cH:7]1>>[C:28]([CH:29]=[CH:30][C:31](=[O:32])[OH:33])(=[O:34])[OH:35].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([NH:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[CH:18]2[CH2:19][CH2:20][N:21]([C:26]([NH:25][CH3:24])=[O:27])[CH2:22][CH2:23]2)[cH:6][cH:7]1

Participants

6

Reactant 4

HCID 6344DichloromethaneHCID 12228Methyl IsocyanateHCID 164547ButenedioateHCID 19771937HCID 19771937, compound

Product 2

HCID 7232-Butenedioic acidHCID 19772004HCID 19772004, compound

Sources & evidence

ORD record
ord-03125baa48ce4490b6a0d3026b9ab0b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…