Sodium ion → {1,1-dimethyl-2-[7-(4-trifluoromethyl-phenyl)-1H-indol-3-yl]-ethyl}-carbamic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][c:11]1[cH:12][nH:13][c:14]2[c:15]([O:20][S:21]([C:22]([F:23])([F:24])[F:25])(=[O:26])=[O:27])[cH:16][cH:17][cH:18][c:19]12)([CH3:28])[CH3:29].[F:36][C:37]([c:38]1[cH:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]1)([F:47])[F:48].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[Pd:54].[c:112]1([P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127][cH:128][cH:129][cH:130]1.[c:55]1([P:56]([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][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][c:11]1[cH:12][nH:13][c:14]2[c:15](-[c:41]3[cH:40][cH:39][c:38]([C:37]([F:36])([F:47])[F:48])[cH:43][cH:42]3)[cH:16][cH:17][cH:18][c:19]12)([CH3:28])[CH3:29]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-cd8c9f83ecf443ccbdaba552f4a6853a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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