1,2-Dichloroethane → HCID 72337167, compound

HRID 2338744Notes

Reaction equation

HRID 2338744 reaction equation
[CH2:1]([O:3][C:4](=[O:2])[CH2:5][CH:6]([CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][c:16]([Cl:20])[cH:17][cH:18][cH:19]2)[cH:12][cH:13]1)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH3:29].[CH2:38]([Cl:39])[CH2:40][Cl:41].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:33][S:34](=[O:35])(=[O:36])[NH2:37].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:64][CH2:65][OH:66].[CH3:72][CH2:73][O:74][C:75]([CH3:76])=[O:77].[ClH:32].[Na+:31].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[OH-:30].[OH:42][n:43]1[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[O:3]=[C:4]([CH2:5][CH:6]([CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][c:16]([Cl:20])[cH:17][cH:18][cH:19]2)[cH:12][cH:13]1)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[NH:37][S:34]([CH3:33])(=[O:35])=[O:36]

Participants

13

Reactant 12

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 72879MethanesulfonamideHCID 181649HOAtHCID 67531666HCID 67531666, compound

Product 1

HCID 72337167HCID 72337167, compound

Sources & evidence

ORD record
ord-4286b0e2dbfd40088f9180b8b7145e25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…