Acetic Acid → 3-[2-Butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-en-1-ol

HRID 208086Notes

Reaction equation

HRID 208086 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:22][c:23]2[c:24]([Cl:29])[cH:25][cH:26][cH:27][cH:28]2)[c:7]([CH:10]=[C:11]([C:12](=[O:13])[O:14][CH3:15])[CH2:16][c:17]2[s:18][cH:19][cH:20][cH:21]2)[cH:8][n:9]1.[CH2:31]([Al+:32][CH2:33][CH:34]([CH3:35])[CH3:36])[CH:37]([CH3:38])[CH3:39].[CH3:40][OH:41].[CH3:49][C:50](=[O:51])[OH:52].[ClH:42].[H-:30].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:48]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:22][c:23]2[c:24]([Cl:29])[cH:25][cH:26][cH:27][cH:28]2)[c:7]([CH:10]=[C:11]([CH2:12][OH:13])[CH2:16][c:17]2[s:18][cH:19][cH:20][cH:21]2)[cH:8][n:9]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 166653HydrideHCID 16686348Bis(2-methylpropyl)alumanyliumHCID 53816036HCID 53816036, compound

Product 1

HCID 541607953-[2-Butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-en-1-ol

Sources & evidence

ORD record
ord-62a44e3142564df4855e466eeeede16a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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