Ethanol → HCID 57677641, compound

HRID 302165Notes

Reaction equation

HRID 302165 reaction equation
[C:45]12([CH2:46][S:47]([OH:48])(=[O:49])=[O:50])[C:51]([CH3:52])([CH3:53])[CH:54]([CH2:55][CH2:56]1)[CH2:57][C:58]2=[O:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:67][CH2:68][OH:69].[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:44])[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][N:32]([CH:35]4[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]4)[CH2:33][CH2:34]3)[cH:25]2)[cH:42][cH:43]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:44])[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][N:32]([CH:35]5[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]5)[CH2:33][CH2:34]4)[cH:25]3)[cH:42][cH:43]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 23153066HCID 23153066, compoundHCID 231532482-(4-Fluorophenyl)acetyl isothiocyanate

Product 1

HCID 57677641HCID 57677641, compound

Sources & evidence

ORD record
ord-1d2e6a02d7cf41df8e098da60e9a4e6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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