Acetic Acid → 3-Benzyloxy-4-chlorosulfonyl-benzoic acid methyl ester

HRID 169166Notes

Reaction equation

HRID 169166 reaction equation
[CH2:70]([Cl:71])[Cl:72].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:7]([NH2:10])[cH:8][cH:9]1)=[O:19].[CH3:32][O:33][C:34](=[O:35])[c:36]1[cH:37][cH:38][c:39]([N:40]=[NH:41])[c:42]([O:43][CH2:44][c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51]1.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH3:60][C:61](=[O:62])[OH:63].[Cl-:28].[Cl:52][Cu:53].[Li+:27].[N:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26].[O:29]=[S:30]=[O:31].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:7]([S:30]([Cl:28])(=[O:29])=[O:31])[cH:8][cH:9]1)=[O:19]

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 312ChlorideHCID 1119Sulfur DioxideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 10906Tert-Butyl nitriteHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 62652Cuprous chlorideHCID 25052945Methyl 4-amino-3-(benzyloxy)benzenecarboxylateHCID 696930003-Benzyloxy-4-diazenyl-benzoic acid methyl ester

Product 1

HCID 865882243-Benzyloxy-4-chlorosulfonyl-benzoic acid methyl ester

Sources & evidence

ORD record
ord-1564a8df554247af87d10c980af3c5ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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