Ethanol → HCID 24936971, compound

HRID 676252Notes

Reaction equation

HRID 676252 reaction equation
[CH3:60][CH2:61][OH:62].[F:18][c:19]1[c:20](-[c:34]2[cH:35][c:36]3[c:37]([s:38]2)[c:39](-[c:43]2[cH:44][c:45]([F:59])[n:46][cH:47][c:48]2[O:49][CH2:50][CH2:51][O:52][CH:53]2[CH2:54][CH2:55][CH2:56][CH2:57][O:58]2)[cH:40][cH:41][cH:42]3)[n:21][c:22]([NH:25][CH2:26][CH2:27][N:28]2[C:29](=[O:33])[NH:30][CH2:31][CH2:32]2)[n:23][cH:24]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O-:7])(=[O:8])=[O:9])[cH:10][cH:11]1.[nH+:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[F:18][c:19]1[c:20](-[c:34]2[cH:35][c:36]3[c:37]([s:38]2)[c:39](-[c:43]2[cH:44][c:45]([F:59])[n:46][cH:47][c:48]2[O:49][CH2:50][CH2:51][OH:52])[cH:40][cH:41][cH:42]3)[n:21][c:22]([NH:25][CH2:26][CH2:27][N:28]2[C:29](=[O:33])[NH:30][CH2:31][CH2:32]2)[n:23][cH:24]1

Participants

5

Reactant 4

HCID 702EthanolHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 66998056HCID 66998056, compound

Product 1

HCID 24936971HCID 24936971, compound

Sources & evidence

ORD record
ord-e18d971a60cc42fb9390e88eb7d9c3ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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