Bicarbonate Ion → 3-(2,6-Dichloro-4-pyridin-3-yl-benzyl)-1-(4,4-difluoro-cyclohexyl)-pyrrolidin-2-one
Reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][O:48][CH:49]([O:50][CH3:51])[CH3:52].[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[Cl:1][c:2]1[cH:3][c:4]([O:24][S:25]([C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])[cH:5][c:6]([Cl:23])[c:7]1[CH2:8][CH:9]1[C:10](=[O:22])[N:11]([CH:14]2[CH2:15][CH2:16][C:17]([F:20])([F:21])[CH2:18][CH2:19]2)[CH2:12][CH2:13]1.[Na+:45].[Na+:46].[Na+:57].[O-:53][C:54]([OH:55])=[O:56].[cH:64]1[cH:65][cH:66][c:67]([P:68]([Pd:69]([P:70]([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)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([P:89]([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)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[P:108]([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)[c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[cH:139][cH:140]1.[n:32]1[cH:33][c:34]([B:38]([OH:39])[OH:40])[cH:35][cH:36][cH:37]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:34]2[cH:33][n:32][cH:37][cH:36][cH:35]2)[cH:5][c:6]([Cl:23])[c:7]1[CH2:8][CH:9]1[C:10](=[O:22])[N:11]([CH:14]2[CH2:15][CH2:16][C:17]([F:20])([F:21])[CH2:18][CH2:19]2)[CH2:12][CH2:13]1Participants
9
Reactant 8
HCID 769Bicarbonate Ion
HCID 923Sodium ion3×
HCID 8857Ethyl Acetate
HCID 107951,1-Dimethoxyethane
HCID 19660Carbonate Ion
HCID 27343783-Pyridinylboronic acid
HCID 57878605Trifluoro-methanesulfonic acid 3,5-dichloro-4-[1-(4,4-difluoro-cyclohexyl)-2-oxo-pyrrolidin-3-ylmethyl]-phenyl ester
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-b7a2d14c7afc4be58a2c828f4bded17b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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