Benzoic Acid → 4-(8-Cycloproply-2,2,4,4-tetramethyl-chroman-6-yl-ethynyl)-benzoic acid ethyl ester
Reaction equation
[C:20]([OH:21])(=[O:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[CH2:29]([CH3:30])[O:31][C:32]([c:33]1[cH:34][cH:35][c:36]([I:39])[cH:37][cH:38]1)=[O:40].[CH2:41]([N:42]([CH2:43][CH3:44])[CH2:45][CH3:46])[CH3:47].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[CH:1]1([c:4]2[cH:5][c:6]([C:18]#[CH:19])[cH:7][c:8]3[c:13]2[O:12][C:11]([CH3:14])([CH3:15])[CH2:10][C:9]3([CH3:16])[CH3:17])[CH2:2][CH2:3]1.[Pd:60]([Cl:61])[Cl:62].[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[CH:1]1([c:4]2[cH:5][c:6]([C:18]#[C:19][c:36]3[cH:35][cH:34][c:33]([C:32]([O:31][CH2:29][CH3:30])=[O:40])[cH:38][cH:37]3)[cH:7][c:8]3[c:13]2[O:12][C:11]([CH3:14])([CH3:15])[CH2:10][C:9]3([CH3:16])[CH3:17])[CH2:2][CH2:3]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-6bcc632c8d0040b1be2b35f8f0c418eb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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