Toluene → 3-(2-Fluoro-4-methylsulfanyl-phenylamino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid ethyl ester
Reaction equation
[Br:16][c:17]1[c:18]([F:25])[cH:19][c:20]([S:23][CH3:24])[cH:21][cH:22]1.[C:26](=[O:27])([O-:28])[O-:29].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([NH2:15])[c:8]2[cH:9][n:10][cH:11][cH:12][c:13]2[nH:14]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[Cs+:30].[Cs+:31].[O:47]=[C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:45].[Pd:46]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([NH:15][c:17]2[c:18]([F:25])[cH:19][c:20]([S:23][CH3:24])[cH:21][cH:22]2)[c:8]2[cH:9][n:10][cH:11][cH:12][c:13]2[nH:14]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-7ec229e5a3ae44ac9fa85a7799fafdb2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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