Dichloromethane → isoquinoline-1-carboxylic acid {1-[(2-ethoxy-5-oxo-tetra-hydrofuran-3-ylcarbamoyl)methyl]-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl} amide
Reaction equation
[CH2:1]([O:2][C:5]([NH:6][CH:7]1[CH:8]([O:13][CH2:14][CH3:15])[O:9][C:10](=[O:12])[CH2:11]1)=[O:16])[CH:3]=[CH2:4].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[Cl:52][CH2:53][Cl:54].[OH:42][n:43]1[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1.[c:17]1([C:27](=[O:28])[NH:29][CH:30]2[C:31](=[O:41])[N:32]([CH2:37][C:38]([OH:39])=[O:40])[CH2:33][CH:34]=[CH:35][CH2:36]2)[n:18][cH:19][cH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12.[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[C:5]([NH:6][CH:7]1[CH:8]([O:13][CH2:14][CH3:15])[O:9][C:10](=[O:12])[CH2:11]1)(=[O:16])[CH2:37][N:32]1[C:31](=[O:41])[CH:30]([NH:29][C:27]([c:17]2[n:18][cH:19][cH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]23)=[O:28])[CH2:36][CH:35]=[CH:34][CH2:33]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-3b582e255c9a46a5870e2733186545c0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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