Benzene → HCID 11232881, compound

HRID 287213Notes

Reaction equation

HRID 287213 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:45][S:46]([CH3:47])=[O:48].[K+:5].[K+:6].[OH2:49].[c:7]1([CH2:13][CH2:14][CH2:15][NH2:16])[cH:8][cH:9][cH:10][cH:11][cH:12]1.[cH:17]1[c:18]([O:27][CH2:28][CH2:29][CH2:30][CH2:31][Cl:32])[cH:19][cH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12.[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[c:7]1([CH2:13][CH2:14][CH2:15][NH:16][CH2:31][CH2:30][CH2:29][CH2:28][O:27][c:18]2[cH:17][c:26]3[c:21]([cH:20][cH:19]2)[cH:22][cH:23][cH:24][cH:25]3)[cH:8][cH:9][cH:10][cH:11][cH:12]1

Participants

9

Reactant 8

HCID 241BenzeneHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 8058HexaneHCID 162593-PhenylpropylamineHCID 19660Carbonate IonHCID 116587114-(2-Naphthyloxy)-1-chlorobutane

Product 1

HCID 11232881HCID 11232881, compound

Sources & evidence

ORD record
ord-2a8aaa002e9f4426946374ab16af35f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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