1,2-Dichloroethane → HCID 23083197, compound

HRID 2155020Notes

Reaction equation

HRID 2155020 reaction equation
[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[ClH:1].[ClH:35].[N+:2](=[O:3])([O-:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][CH2:12][NH2:13])[cH:9][cH:10]1.[OH2:47].[OH:14][CH:15]([C:16]([OH:17])=[O:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[OH:25][c:26]1[c:27]2[n:28][n:29][nH:30][c:31]2[cH:32][cH:33][cH:34]1>>[N+:2](=[O:3])([O-:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][CH2:12][NH:13][C:16]([CH:15]([OH:14])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)=[O:17])[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 962WaterHCID 1292Mandelic AcidHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 951534-NitrophenethylamineHCID 178418300HCID 178418300, compound

Product 1

HCID 23083197HCID 23083197, compound

Sources & evidence

ORD record
ord-3178e90b13a6479aa873b7d243842285
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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