Ethanol → HCID 10186034, compound

HRID 190199Notes

Reaction equation

HRID 190199 reaction equation
[CH3:36][CH2:37][O-:38].[CH3:40][CH2:41][OH:42].[CH3:44][CH2:45][OH:46].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:9]([c:10]2[cH:11][c:12]3[c:13](-[c:22]4[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]4)[cH:14][c:15](=[O:21])[n:16]([CH3:20])[c:17]3[cH:18][cH:19]2)([c:29]2[cH:30][n:31][cH:32][n:33]2[CH3:34])[OH:35])[cH:7][cH:8]1.[Na+:39].[OH2:43]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([C:9]([c:10]2[cH:11][c:12]3[c:13](-[c:22]4[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]4)[cH:14][c:15](=[O:21])[n:16]([CH3:20])[c:17]3[cH:18][cH:19]2)([c:29]2[cH:30][n:31][cH:32][n:33]2[CH3:34])[OH:35])[cH:7][cH:8]1)[O:38][CH2:37][CH3:36]

Participants

6

Reactant 5

HCID 702Ethanol2×HCID 923Sodium ionHCID 962WaterHCID 1194401-Hydroxyethyl radicalHCID 21082106(+/-)-6-[[4-(chloromethyl)phenyl]hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-4(3-chlorophenyl)-1-methyl-2(1H)-quinolinone

Product 1

HCID 10186034HCID 10186034, compound

Sources & evidence

ORD record
ord-1d52f7cafcae447babf7c9a4408e344b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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