Dimethylformamide → Methyl 5-[[[3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]methyl]pyridine-2-carboxylate

HRID 93824Notes

Reaction equation

HRID 93824 reaction equation
[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[CH:87]([N:88]([CH3:89])[CH3:90])=[O:91].[Cl:1][c:2]1[c:3]([F:31])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[OH:30])[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[NH2:32][CH2:33][c:34]1[cH:35][cH:36][c:37]([C:40](=[O:41])[O:42][CH3:43])[n:38][cH:39]1.[OH:53][n:54]1[c:55]2[c:56]([cH:57][cH:58][cH:59][cH:60]2)[n:61][n:62]1.[P-:63]([F:64])([F:65])([F:66])([F:67])([F:68])[F:69].[n:70]1([O:71][C:72]([N:73]([CH3:74])[CH3:75])=[N+:76]([CH3:77])[CH3:78])[c:79]2[cH:80][cH:81][cH:82][cH:83][c:84]2[n:85][n:86]1>>[Cl:1][c:2]1[c:3]([F:31])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[NH:32][CH2:33][c:34]3[cH:35][cH:36][c:37]([C:40](=[O:41])[O:42][CH3:43])[n:38][cH:39]3)[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 50989142Methyl 5-(aminomethyl)pyridine-2-carboxylateHCID 666882513-(3-Chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid

Product 1

HCID 67378506Methyl 5-[[[3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]methyl]pyridine-2-carboxylate

Sources & evidence

ORD record
ord-9d1688b438ec42d8ae1a439bb50e159f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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