Methanol → HCID 178495432, compound

HRID 312138Notes

Reaction equation

HRID 312138 reaction equation
[C:44]12([CH2:45][S:46]([OH:47])(=[O:48])=[O:49])[C:50]([CH3:51])([CH3:52])[CH:53]([CH2:54][CH2:55]1)[CH2:56][C:57]2=[O:58].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:66][OH:67].[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7](-[c:17]3[cH:18][cH:19][c:20](-[c:22]4[s:23][cH:24][cH:25][n:26]4)[nH:21]3)[cH:8][c:9]([O:11][CH:12]([CH2:13][O:14][CH3:15])[CH3:16])[cH:10]2)[cH:27][cH:28][c:29]([C:31](=[O:32])[N:33]2[CH2:34][CH:35]([O:37][CH:38]3[CH2:39][CH2:40][CH2:41][CH2:42][O:43]3)[CH2:36]2)[cH:30]1>>[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7](-[c:17]3[cH:18][cH:19][c:20](-[c:22]4[s:23][cH:24][cH:25][n:26]4)[nH:21]3)[cH:8][c:9]([O:11][CH:12]([CH2:13][O:14][CH3:15])[CH3:16])[cH:10]2)[cH:27][cH:28][c:29]([C:31](=[O:32])[N:33]2[CH2:34][CH:35]([OH:37])[CH2:36]2)[cH:30]1

Participants

5

Reactant 4

HCID 887MethanolHCID 8471TriethylamineHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 178495433HCID 178495433, compound

Product 1

HCID 178495432HCID 178495432, compound

Sources & evidence

ORD record
ord-1d0ece38b46241699cc03aaf29538e69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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