Chloride → 7-chloro-1-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-5H-pyrido[4,3-b]indole-4-carbonitrile
Reaction equation
[CH3:136][O:137][CH2:138][CH2:139][O:140][CH3:141].[CH3:64][C:65]([CH3:66])([O-:67])[CH3:68].[CH:71]1([CH:74]([C:75]([F:76])([F:77])[F:78])[NH3+:79])[CH2:72][CH2:73]1.[Cl-:70].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:16]#[N:17])[c:6]2[nH:7][c:8]3[cH:9][c:10]([Cl:15])[cH:11][cH:12][c:13]3[c:14]12.[Na+:69].[O:100]=[C:101]([CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1)[CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1.[O:118]=[C:119]([CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1)[CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1.[O:82]=[C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)[CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Pd:80].[Pd:81].[cH:18]1[cH:19][cH:20][c:21]([P:22]([c:23]2[cH:24][cH:25][c:26]3[c:27]([cH:28][cH:29][cH:30][cH:31]3)[c:32]2-[c:33]2[c:34]3[c:35]([cH:36][cH:37][cH:38][cH:39]3)[cH:40][cH:41][c:42]2[P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63]1>>[c:2]1([NH:79][CH:74]([CH:71]2[CH2:72][CH2:73]2)[C:75]([F:76])([F:77])[F:78])[n:3][cH:4][c:5]([C:16]#[N:17])[c:6]2[nH:7][c:8]3[cH:9][c:10]([Cl:15])[cH:11][cH:12][c:13]3[c:14]12Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-772b032a946b476e92ba70a77fdef953
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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