1,2-Dichloroethane → HCID 23083197, compound

HRID 2326885Notes

Reaction equation

HRID 2326885 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[CH2:53]([Cl:54])[CH2:55][Cl:56].[CH3:41][N:42]([CH3:43])[CH2:44][CH2:45][CH2:46][N:47]=[C:48]=[N:49][CH2:50][CH3:51].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[ClH:40].[K+:28].[K+:29].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][NH2:12])[cH:8][cH:9]1.[OH2:52].[OH:13][CH:14]([C:15]([OH:16])=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[OH:30][c:31]1[c:32]2[n:33][n:34][nH:35][c:36]2[cH:37][cH:38][cH:39]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:10][CH2:11][NH:12][C:15]([CH:14]([OH:13])[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)=[O:16])[cH:8][cH:9]1

Participants

11

Reactant 10

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 962WaterHCID 1292Mandelic AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 19660Carbonate IonHCID 951534-NitrophenethylamineHCID 178418300HCID 178418300, compound

Product 1

HCID 23083197HCID 23083197, compound

Sources & evidence

ORD record
ord-3c79ad4d41fb4ad596585fc769c1e667
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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