HCID 19962312, compound → 4-[(7,8-Dihydro-8,8-dimethyl-5-phenylthionaphth-3-yl)ethynyl]benzoic acid
Reaction equation
[CH3:1][C:2]1([CH3:3])[c:4]2[cH:5][cH:6][c:7]([C:8]#[C:9][c:10]3[cH:11][cH:12][c:13]([C:14]([OH:15])=[O:16])[cH:17][cH:18]3)[cH:19][c:20]2[C:21]([S:22][CH2:23][CH3:24])=[CH:25][CH2:26]1.[CH3:27][C:28]1([CH3:29])[c:30]2[cH:31][cH:32][c:33]([C:34]#[C:35][c:36]3[cH:37][cH:38][c:39]([C:40]([O:41][CH2:42][CH3:43])=[O:44])[cH:45][cH:46]3)[cH:47][c:48]2[C:49]([S:50]([CH2:51][CH3:52])(=[O:53])=[O:54])=[CH:55][CH2:56]1.[CH3:57][C:58]1([CH3:88])[CH2:59][CH:60]=[C:61]([S:81][c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:62]2[cH:63][c:64]([C:68]#[C:69][c:70]3[cH:71][cH:72][c:73]([C:74](=[O:75])[O:76][CH2:77][CH3:78])[cH:79][cH:80]3)[cH:65][cH:66][c:67]21>>[CH3:57][C:58]1([CH3:88])[CH2:59][CH:60]=[C:61]([S:81][c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:62]2[cH:63][c:64]([C:68]#[C:69][c:70]3[cH:71][cH:72][c:73]([C:74](=[O:75])[OH:76])[cH:79][cH:80]3)[cH:65][cH:66][c:67]21Participants
4
Sources & evidence
- ORD record
- ord-21bb73799f394c91ac7ac8dc16aca54b
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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