Water → 2-Amino-6-(3-methoxy-1-propynyl)-N-(5-phenoxy-thiophen-2-ylmethyl)-nicotinamide
Reaction equation
[C:46](#[N:47])[CH3:48].[CH3:139][N:140]1[CH2:141][CH2:142][CH2:143][C:144]1=[O:145].[CH3:25][O:26][CH2:27][C:28]#[CH:29].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[Cl:135][CH2:136][Cl:137].[Cu:56][I:57].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][c:8]2[s:9][c:10]([O:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[cH:11][cH:12]2)[cH:20][cH:21][c:22]([Cl:24])[n:23]1.[OH2:138].[OH2:45].[OH:49][C:50]([C:51]([F:52])([F:53])[F:54])=[O:55].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([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)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([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)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[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)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][c:8]2[s:9][c:10]([O:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[cH:11][cH:12]2)[cH:20][cH:21][c:22]([C:29]#[C:28][CH2:27][O:26][CH3:25])[n:23]1Participants
12
Reactant 11
HCID 962Water2×
HCID 1049Pyridine
HCID 6342Acetonitrile
HCID 6344Dichloromethane
HCID 6422Trifluoroacetic acid
HCID 13387N-methyl-2-pyrrolidone
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 693933-Methoxypropyne
HCID 81531Diisopropylethylamine
HCID 231304982-aminochloro-N-(5-phenoxy-thiophen-2-ylmethyl)-nicotinamide
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-2792793d9254430d8c65abe38d4ef07d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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