Benzene → HCID 22598003, compound

HRID 172784Notes

Reaction equation

HRID 172784 reaction equation
[Cl-:1].[Cl:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]([CH2:16][O:17][Si:18]([CH:19]([CH3:20])[CH3:21])([CH:22]([CH3:23])[CH3:24])[CH:25]([CH3:26])[CH3:27])[cH:9][cH:10][c:11]1[O:12][CH:13]([F:14])[F:15].[Na+:29].[Na+:60].[O-:56][C:57]([OH:58])=[O:59].[OH-:28].[S:38]([O:39][Si:40]([CH:41]([CH3:42])[CH3:43])([CH:44]([CH3:45])[CH3:46])[CH:47]([CH3:48])[CH3:49])([C:50]([F:51])([F:52])[F:53])(=[O:54])=[O:55].[cH:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[n:30]1[c:31]([CH3:32])[cH:33][cH:34][cH:35][c:36]1[CH3:37]>>[CH2:3]=[CH:4][O:5][c:6]1[cH:7][c:8]([CH2:16][O:17][Si:18]([CH:19]([CH3:20])[CH3:21])([CH:22]([CH3:23])[CH3:24])[CH:25]([CH3:26])[CH3:27])[cH:9][cH:10][c:11]1[O:12][CH:13]([F:14])[F:15]

Participants

9

Reactant 8

HCID 241BenzeneHCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 961HydroxideHCID 79372,6-LutidineHCID 2724529Triisopropylsilyl trifluoromethanesulfonateHCID 22598016HCID 22598016, compound

Product 1

HCID 22598003HCID 22598003, compound

Sources & evidence

ORD record
ord-4dc46f98a1b34018ad82579300b127e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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