Benzene → HCID 10087852, compound

HRID 1116865Notes

Reaction equation

HRID 1116865 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH2:7]([CH3:8])[CH:9]([CH2:10][NH2:11])[CH2:12][CH2:13][CH2:14][CH3:15].[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[CH3:44][S:45]([CH3:46])=[O:47].[K+:5].[K+:6].[OH2:48].[cH:16]1[c:17]([O:26][CH2:27][CH2:28][CH2:29][CH2:30][Cl:31])[cH:18][cH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]12.[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH2:7]([CH3:8])[CH:9]([CH2:10][NH:11][CH2:30][CH2:29][CH2:28][CH2:27][O:26][c:17]1[cH:16][c:25]2[c:20]([cH:19][cH:18]1)[cH:21][cH:22][cH:23][cH:24]2)[CH2:12][CH2:13][CH2:14][CH3:15]

Participants

9

Reactant 8

HCID 241BenzeneHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 77192-EthylhexylamineHCID 8058HexaneHCID 19660Carbonate IonHCID 116587114-(2-Naphthyloxy)-1-chlorobutane

Product 1

HCID 10087852HCID 10087852, compound

Sources & evidence

ORD record
ord-97bc06435cef423b9c702e6626452642
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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