Ethanol → HCID 14230185, compound

HRID 690186Notes

Reaction equation

HRID 690186 reaction equation
[CH3:52][OH:53].[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]([CH2:41][OH:42])[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:43]2[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]2)[cH:14][cH:15]1.[H:50][H:51].[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]([CH2:41][OH:42])[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:43]2[cH:44][cH:45][c:46]([F:49])[cH:47][cH:48]2)[cH:14][cH:15]1

Participants

6

Reactant 5

HCID 702EthanolHCID 887MethanolHCID 8030ThiopheneHCID 142301694-[4,4-bis(4-fluorophenyl)butyl]-N-(2,6-dimethyl-4-nitrophenyl)-2-(hydroxymethyl)-1-piperazineacetamideHCID 178418361HCID 178418361, compound

Product 1

HCID 14230185HCID 14230185, compound

Sources & evidence

ORD record
ord-927ce83fb77a485684190969040a81bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…