Ethanol → HCID 14230140, compound

HRID 156350Notes

Reaction equation

HRID 156350 reaction equation
[CH3:54][OH:55].[CH3:6][CH2:7][OH:8].[F:9][c:10]1[cH:11][cH:12][c:13]([CH:16]([CH2:17][CH2:18][CH2:19][N:20]2[CH2:21][CH:22]([C:41](=[O:42])[NH:43][CH3:44])[N:23]([CH2:26][C:27](=[O:28])[NH:29][c:30]3[c:31]([CH3:40])[cH:32][c:33]([N+:37]([O-:38])=[O:39])[cH:34][c:35]3[CH3:36])[CH2:24][CH2:25]2)[c:45]2[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]2)[cH:14][cH:15]1.[H:52][H:53].[cH:1]1[cH:2][s:3][cH:4][cH:5]1>>[F:9][c:10]1[cH:11][cH:12][c:13]([CH:16]([CH2:17][CH2:18][CH2:19][N:20]2[CH2:21][CH:22]([C:41](=[O:42])[NH:43][CH3:44])[N:23]([CH2:26][C:27](=[O:28])[NH:29][c:30]3[c:31]([CH3:40])[cH:32][c:33]([NH2:37])[cH:34][c:35]3[CH3:36])[CH2:24][CH2:25]2)[c:45]2[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]2)[cH:14][cH:15]1

Participants

6

Reactant 5

HCID 702EthanolHCID 887MethanolHCID 8030ThiopheneHCID 14230129HCID 14230129, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 14230140HCID 14230140, compound

Sources & evidence

ORD record
ord-3904d007999c4132979ebd31df1ebd72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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