Benzoate → Benzoic Acid
Reaction equation
[C:63](=[O:64])([O-:65])[O-:66].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[Cs+:67].[Cs+:68].[NH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[O-:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:76].[Pd:77].[cH:17]1[cH:18][cH:19][c:20]([P:21]([c:22]2[cH:23][cH:24][c:25]3[c:26]([cH:27][cH:28][cH:29][cH:30]3)[c:31]2-[c:32]2[c:33]3[c:34]([cH:35][cH:36][cH:37][cH:38]3)[cH:39][cH:40][c:41]2[P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62]1>>[O:1]=[C:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1Participants
9
Sources & evidence
- ORD record
- ord-b740798c86fa47cbac233abdf7f320a7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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