Ethanol → 4-Benzyloxy-1-p-tolyl-isoquinoline-3-carboxylic acid butyl ester
Reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([Br:26])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1[O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:48][CH2:49][OH:50].[Na+:41].[Na+:42].[OH2:51].[c:27]1([CH3:36])[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1.[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([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)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([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)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10](-[c:30]2[cH:29][cH:28][c:27]([CH3:36])[cH:32][cH:31]2)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1[O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-6860928552444121ab4966e5fd0b08a1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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