Sodium ion → Ethyl 3-chloro-4-(pyrrolidin-1-yl)benzoate
Reaction equation
[Br:1][c:2]1[c:3]([Cl:13])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1.[CH2:14]1[CH2:15][CH2:16][NH:17][CH2:18]1.[CH3:19][C:20]([CH3:21])([O-:22])[CH3:23].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[Na+:24].[O:116]=[C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)[CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[Pd:78].[Pd:79].[cH:25]1[cH:26][cH:27][c:28]([P:29]([c:30]2[cH:31][cH:32][c:33]3[c:34]([cH:35][cH:36][cH:37][cH:38]3)[c:39]2-[c:40]2[c:41]3[c:42]([cH:43][cH:44][cH:45][cH:46]3)[cH:47][cH:48][c:49]2[P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70]1>>[c:2]1([N:17]2[CH2:16][CH2:15][CH2:14][CH2:18]2)[c:3]([Cl:13])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1Participants
9
Sources & evidence
- ORD record
- ord-7ef4bb3986f147dda99addf1991beeb0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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