1,2-Dichloroethane → HCID 10621119, compound

HRID 1120558Notes

Reaction equation

HRID 1120558 reaction equation
[C:1]([O-:2])(=[O:5])[CH2:6][C:3](=[O:4])[O-:7].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[CH3:54][C:55](=[O:56])[CH3:57].[Cl:43][CH2:44][CH2:45][Cl:46].[N-:13]=[N+:14]=[N-:15].[NH2:24][c:25]1[cH:26][c:27]([N+:40](=[O:41])[O-:42])[c:28]([CH:31]([C:32](=[O:33])[O:34][CH3:35])[C:36](=[O:37])[O:38][CH3:39])[cH:29][cH:30]1.[Na+:12].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH2:47].[OH:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[S:8]([Cl:9])([Cl:10])=[O:11]>>[C:3](=[O:4])([O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[NH:24][c:25]1[cH:26][c:27]([N+:40](=[O:41])[O-:42])[c:28]([CH:31]([C:32](=[O:33])[O:34][CH3:35])[C:36](=[O:37])[O:38][CH3:39])[cH:29][cH:30]1

Participants

12

Reactant 11

HCID 111,2-DichloroethaneHCID 180AcetoneHCID 244Benzyl AlcoholHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9084Malonate IonHCID 24386Thionyl ChlorideHCID 33558AzideHCID 54082503HCID 54082503, compound

Product 1

HCID 10621119HCID 10621119, compound

Sources & evidence

ORD record
ord-48382266841b45f9b9799612d9838a1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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