Sodium ion → 7-amino-3-chloro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7](=[O:17])[c:8]3[c:9]([n:10][cH:11][c:12]([Cl:14])[cH:13]3)[cH:15][cH:16]2)[cH:18]1.[C:65]([c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)([c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)=[NH:78].[CH3:141][c:142]1[cH:143][cH:144][cH:145][cH:146][cH:147]1.[CH3:79][C:80]([CH3:81])([O-:82])[CH3:83].[Na+:84].[O:105]=[C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)[CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[O:123]=[C:124]([CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1)[CH:133]=[CH:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:85].[Pd:86].[cH:19]1[cH:20][cH:21][c:22]([P:23]([c:24]2[cH:25][cH:26][c:27]3[c:28]([cH:29][cH:30][cH:31][cH:32]3)[c:33]2-[c:34]2[c:35]3[c:36]([cH:37][cH:38][cH:39][cH:40]3)[cH:41][cH:42][c:43]2[P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[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)[cH:63][cH:64]1>>[c:2]1([NH2:78])[cH:3][cH:4][c:5]2[c:6]([c:7](=[O:17])[c:8]3[c:9]([n:10][cH:11][c:12]([Cl:14])[cH:13]3)[cH:15][cH:16]2)[cH:18]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-f21d44dac83c49c9a1fc4eb1f130a36d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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