Dimethylformamide → 4-[3-Oxo-7-(3-phenyl-prop-1-ynyl)-2H-isoquinolin-2-ylmethyl]benzoic Acid tert-butyl Ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[cH:8][cH:9][c:10]([CH2:13][n:14]2[cH:15][c:16]3[cH:17][c:18]([Br:25])[cH:19][cH:20][c:21]3[cH:22][c:23]2=[O:24])[cH:11][cH:12]1)=[O:26].[CH2:27]([N:28]([CH2:29][CH3:30])[CH2:31][CH3:32])[CH3:33].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[Cu:48][I:49].[c:34]1([CH2:40][C:41]#[CH:42])[cH:35][cH:36][cH:37][cH:38][cH:39]1.[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([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)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([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)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[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)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[cH:8][cH:9][c:10]([CH2:13][n:14]2[cH:15][c:16]3[cH:17][c:18]([C:42]#[C:41][CH2:40][c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[cH:19][cH:20][c:21]3[cH:22][c:23]2=[O:24])[cH:11][cH:12]1)=[O:26]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-e15aec25e4aa4aaba7e02401cd0caa71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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