1,2-Dichloroethane → HCID 178471123, compound

HRID 308612Notes

Reaction equation

HRID 308612 reaction equation
[C:39](=[O:40])([OH:41])[O-:42].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[Cl:44][CH2:45][CH2:46][Cl:47].[ClH:1].[ClH:2].[NH:3]1[CH2:4][CH:5]([NH:9][c:10]2[n:11][cH:12][c:13]([CH:16]=[CH:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[n:14][cH:15]2)[CH2:6][CH2:7][CH2:8]1.[Na+:43].[O:32]=[C:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1>>[N:3]1([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[CH2:4][CH:5]([NH:9][c:10]2[n:11][cH:12][c:13]([CH:16]=[CH:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[n:14][cH:15]2)[CH2:6][CH2:7][CH2:8]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 7967CyclohexanoneHCID 81531DiisopropylethylamineHCID 178471122HCID 178471122, compound

Product 1

HCID 178471123HCID 178471123, compound

Sources & evidence

ORD record
ord-359feaac9b42496a97cf124608a6d0b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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