Benzene → HCID 9994541, compound

HRID 192748Notes

Reaction equation

HRID 192748 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].[CH3:42][S:43]([CH3:44])=[O:45].[CH3:7][O:8][c:9]1[cH:10][cH:11][c:12]([NH2:15])[cH:13][cH:14]1.[K+:5].[K+:6].[OH2:46].[cH:16]1[c:17]([O:26][CH2:27][CH2:28][Cl:29])[cH:18][cH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]12.[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH3:7][O:8][c:9]1[cH:10][cH:11][c:12]([NH:15][CH2:28][CH2:27][O:26][c:17]2[cH:16][c:25]3[c:20]([cH:19][cH:18]2)[cH:21][cH:22][cH:23][cH:24]3)[cH:13][cH:14]1

Participants

9

Reactant 8

HCID 241BenzeneHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 7732P-AnisidineHCID 8058HexaneHCID 19660Carbonate IonHCID 3498772-(2-Naphthyloxy)-1-chloroethane

Product 1

HCID 9994541HCID 9994541, compound

Sources & evidence

ORD record
ord-39e9004d9bc8454a8357349034a588ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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