Dichloromethane → 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[4-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]phenyl]pyrrolidine-2-carboxamide

HRID 100112Notes

Reaction equation

HRID 100112 reaction equation
[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[Cl:24][c:25]1[c:26]([F:54])[c:27]([CH:31]2[CH:32]([C:51](=[O:52])[OH:53])[NH:33][CH:34]([CH2:46][C:47]([CH3:48])([CH3:49])[CH3:50])[C:35]2([C:36]#[N:37])[c:38]2[c:39]([F:45])[cH:40][c:41]([Cl:44])[cH:42][cH:43]2)[cH:28][cH:29][cH:30]1.[Cl:79][CH2:80][Cl:81].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9](=[O:10])[NH:11][CH3:12])([CH3:13])[CH3:14])[cH:6][cH:7]1.[P-:55]([F:56])([F:57])([F:58])([F:59])([F:60])[F:61].[n:62]1([O:63][C:64]([N:65]([CH3:66])[CH3:67])=[N+:68]([CH3:69])[CH3:70])[c:71]2[n:72][cH:73][cH:74][cH:75][c:76]2[n:77][n:78]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:8]([C:9](=[O:10])[NH:11][CH3:12])([CH3:13])[CH3:14])[cH:6][cH:7]1)[C:51]([CH:32]1[CH:31]([c:27]2[c:26]([F:54])[c:25]([Cl:24])[cH:30][cH:29][cH:28]2)[C:35]([C:36]#[N:37])([c:38]2[c:39]([F:45])[cH:40][c:41]([Cl:44])[cH:42][cH:43]2)[CH:34]([CH2:46][C:47]([CH3:48])([CH3:49])[CH3:50])[NH:33]1)=[O:52]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 666882513-(3-Chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acidHCID 673676632-(4-amino-phenyl)-N-methyl-isobutyramide

Product 1

HCID 760218863-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[4-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]phenyl]pyrrolidine-2-carboxamide

Sources & evidence

ORD record
ord-818f8333f6ef49c58932920fdd0728ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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