Ethanol → HCID 59011620, compound

HRID 933641Notes

Reaction equation

HRID 933641 reaction equation
[C:42]12([CH2:43][S:44]([OH:45])(=[O:46])=[O:47])[C:48]([CH3:49])([CH3:50])[CH:51]([CH2:52][CH2:53]1)[CH2:54][C:55]2=[O:56].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH3:64][CH2:65][OH:66].[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[cH:16][c:17]([F:41])[c:18]([O:19][c:20]2[n:21][cH:22][n:23][c:24]([NH:26][C:27](=[O:28])[N:29]3[CH2:30][CH2:31][CH:32]([CH2:35][N:36]([CH3:37])[CH3:38])[CH2:33][CH2:34]3)[cH:25]2)[cH:39][cH:40]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[cH:16][c:17]([F:41])[c:18]([O:19][c:20]3[n:21][cH:22][n:23][c:24]([NH:26][C:27](=[O:28])[N:29]4[CH2:30][CH2:31][CH:32]([CH2:35][N:36]([CH3:37])[CH3:38])[CH2:33][CH2:34]4)[cH:25]3)[cH:39][cH:40]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 23153214HCID 23153214, compoundHCID 231532482-(4-Fluorophenyl)acetyl isothiocyanate

Product 1

HCID 59011620HCID 59011620, compound

Sources & evidence

ORD record
ord-b98b799c7c194f20aca7aa74d51f6815
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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