Ethanol → tert-butyl (1-(4-(6-phenyl-9H-benzo[f]pyrido[2,3-b][1,2,4]triazolo [4,3-d][1,4]diazepin-3-yl)phenyl)cyclobutyl)carbamate
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:36][cH:37]1)[NH:6][c:7]1[c:8]([cH:32][cH:33][cH:34][cH:35]1)-[c:9]1[n:10]-2[c:11](-[c:14]2[cH:15][cH:16][c:17]([C:20]3([NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH2:21][CH2:22][CH2:23]3)[cH:18][cH:19]2)[n:12][n:13]1.[C:47](=[O:48])([OH:49])[O-:50].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:59][CH2:60][OH:61].[Na+:51].[Pd:62].[c:101]1([P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116][cH:117][cH:118][cH:119]1.[c:120]1([P:121]([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135][cH:136][cH:137][cH:138]1.[c:38]1([B:44]([OH:45])[OH:46])[cH:39][cH:40][cH:41][cH:42][cH:43]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[c:2]1(-[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:3][c:4]2[c:5]([n:36][cH:37]1)[NH:6][c:7]1[c:8]([cH:32][cH:33][cH:34][cH:35]1)-[c:9]1[n:10]-2[c:11](-[c:14]2[cH:15][cH:16][c:17]([C:20]3([NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[CH2:21][CH2:22][CH2:23]3)[cH:18][cH:19]2)[n:12][n:13]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-cbc8fd3bc26448299bcf98796441f26a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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