Methanol → HCID 58514762, compound

HRID 2126095Notes

Reaction equation

HRID 2126095 reaction equation
[C:37]12([CH2:38][S:39]([OH:40])(=[O:41])=[O:42])[C:43]([CH3:44])([CH3:45])[CH:46]([CH2:47][CH2:48]1)[CH2:49][C:50]2=[O:51].[CH3:52][OH:53].[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5][CH:6]1[O:7][CH2:8][CH2:9][n:10]1[n:11][cH:12][c:13](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([n:20]2)[n:21]([C:24]([CH3:25])([CH3:26])[c:27]2[cH:28][c:29]4[cH:30][cH:31][cH:32][n:33][c:34]4[cH:35][cH:36]2)[n:22][n:23]3)[cH:14]1.[OH2:54]>>[OH:7][CH2:8][CH2:9][n:10]1[n:11][cH:12][c:13](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([n:20]2)[n:21]([C:24]([CH3:25])([CH3:26])[c:27]2[cH:28][c:29]4[cH:30][cH:31][cH:32][n:33][c:34]4[cH:35][cH:36]2)[n:22][n:23]3)[cH:14]1

Participants

5

Reactant 4

HCID 887MethanolHCID 962WaterHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 66994859HCID 66994859, compound

Product 1

HCID 58514762HCID 58514762, compound

Sources & evidence

ORD record
ord-d4fe0cf7c54643a69c20ba0e731d4a28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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