Ethanol → HCID 59011634, compound

HRID 301722Notes

Reaction equation

HRID 301722 reaction equation
[C:41]12([CH2:42][S:43]([OH:44])(=[O:45])=[O:46])[C:47]([CH3:48])([CH3:49])[CH:50]([CH2:51][CH2:52]1)[CH2:53][C:54]2=[O:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:63][CH2:64][OH:65].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[N:11]=[C:12]=[S:13])[cH:6][cH:7]1.[NH2:14][c:15]1[c:16]([F:40])[cH:17][c:18]([O:19][c:20]2[cH:21][c:22]([NH:26][C:27]([N:28]([CH:29]3[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[CH3:36])=[O:37])[n:23][cH:24][n:25]2)[cH:38][cH:39]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[NH:11][C:12](=[S:13])[NH:14][c:15]2[c:16]([F:40])[cH:17][c:18]([O:19][c:20]3[cH:21][c:22]([NH:26][C:27]([N:28]([CH:29]4[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]4)[CH3:36])=[O:37])[n:23][cH:24][n:25]3)[cH:38][cH:39]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 1140TolueneHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 231532482-(4-Fluorophenyl)acetyl isothiocyanateHCID 23153632HCID 23153632, compound

Product 1

HCID 59011634HCID 59011634, compound

Sources & evidence

ORD record
ord-07812f9b47de4322a750ccc08e31a7c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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