Ethanol → HCID 18673945, compound

HRID 1130441Notes

Reaction equation

HRID 1130441 reaction equation
[C:35]12([CH2:36][S:37]([OH:38])(=[O:39])=[O:40])[C:41]([CH3:42])([CH3:43])[CH:44]([CH2:45][CH2:46]1)[CH2:47][C:48]2=[O:49].[CH3:50][CH2:51][OH:52].[CH:29]([O-:30])([O-:33])[O:34][CH2:31][CH3:32].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][n:10][c:11]([O:14][c:15]3[c:16]4[c:20]([cH:21][cH:22][cH:23]3)[C:19](=[O:24])[CH2:18][CH2:17]4)[cH:12][cH:13]2)[cH:25][cH:26][c:27]1[Cl:28]>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][n:10][c:11]([O:14][c:15]3[c:16]4[c:20]([cH:21][cH:22][cH:23]3)[C:19]([O:24][CH2:31][CH3:32])=[CH:18][CH2:17]4)[cH:12][cH:13]2)[cH:25][cH:26][c:27]1[Cl:28]

Participants

5

Reactant 4

HCID 702EthanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 9909644HCID 9909644, compoundHCID 53630039Ethylorthoformate

Product 1

HCID 18673945HCID 18673945, compound

Sources & evidence

ORD record
ord-2d6666dcb3054994ade96756e309d8b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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