Ethanol → [4-(5-Imidazol-1-yl-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetic acid
Reaction equation
[CH3:1][CH:2]([C:3](=[O:4])[O-:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][c:16]3[c:21]([cH:22][cH:23]2)[CH:20]([n:24]2[cH:25][n:26][cH:27][cH:28]2)[CH2:19][CH2:18][C:17]3([CH3:29])[CH3:30])[cH:10][cH:11]1.[CH3:33][CH2:34][OH:35].[Na+:32].[OH-:31]>>[CH2:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][c:16]3[c:21]([cH:22][cH:23]2)[CH:20]([n:24]2[cH:25][n:26][cH:27][cH:28]2)[CH2:19][CH2:18][C:17]3([CH3:29])[CH3:30])[cH:10][cH:11]1Participants
5
Sources & evidence
- ORD record
- ord-f63f6150e14741e6b2c082f48037e96b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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