HRID181476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID3389389

1-(Trifluoroacetyl)prolyl chloride

C7H7ClF3NO2

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(F)c(N)c(C(=O)N(C)C)c3)cc12

HCID57731478

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3cc(F)c(NC(=O)C4CCCN4C(=O)C(F)(F)F)c(C(=O)N(C)C)c3)cc12

HCID86630892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92eab570a0674c47b7ca5ab17db9ff9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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