HRID151102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6577

Chloroacetyl chloride

C2H2Cl2O

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCC#N)CC1

HCID11181500

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(=O)CCl)CC1

HCID86595529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8be29bfaaa2e4341803d6a4b8cc58d53
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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