Dichloromethane → 3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide

HRID 193528

反応式

HRID 193528 の反応式
[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH:9]([C:27](=[O:28])[OH:29])[NH:10][CH:11]([CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])[C:12]2([C:13]#[N:14])[c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[Cl:71][CH2:72][Cl:73].[NH2:30][CH:31]([CH2:32][OH:33])[CH2:34][CH:35]([CH3:36])[CH3:37].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH:9]([C:27](=[O:29])[NH:30][CH:31]([CH2:32][OH:33])[CH2:34][CH:35]([CH3:36])[CH3:37])[NH:10][CH:11]([CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])[C:12]2([C:13]#[N:14])[c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1

参加物

7

反応物 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 790302-Amino-4-methylpentan-1-olHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67296837rac-(2R,3R,4R,5S)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid

生成物 1

HCID 750957803-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide

出典と根拠

ORDレコード
ord-661ae338e9db40929e6f183c4f6a64c7
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

関連ノート

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