HRID701666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID21943339

未命名化合物

结构：COc1c(N2CC(C)NC(C)C2)c(F)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cn(CC(F)(F)F)c12

HCID76607220

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=O)N1C(C)CN(c2c(F)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4Cl)cn(CC(F)(F)F)c3c2OC)CC1C

HCID76607225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-446547032db94f158765ef43360fc6d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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