Water → 2-(Phenylethynyl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-6-one
Reaction equation
[Br:1][c:2]1[nH:3][c:4]2[cH:5][cH:6][cH:7][c:8]3[c:9]2[c:10]1[CH2:11][CH2:12][NH:13][C:14]3=[O:15].[C:37]([c:38]1[cH:39][c:40]([CH3:41])[cH:42][c:43]([C:44]([CH3:45])([CH3:46])[CH3:47])[c:48]1[OH:49])([CH3:50])([CH3:51])[CH3:52].[CH2:16]([Sn:17]([CH2:18][CH2:19][CH2:20][CH3:29])([C:21]#[C:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH2:35][CH3:36].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:58].[Pd:59].[c:117]1([P:118]([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132][cH:133][cH:134][cH:135]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113][cH:114][cH:115][cH:116]1>>[c:2]1([C:21]#[C:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[nH:3][c:4]2[cH:5][cH:6][cH:7][c:8]3[c:9]2[c:10]1[CH2:11][CH2:12][NH:13][C:14]3=[O:15]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-c9557b12cd144f119035cebe6d65300e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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