HRID186982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2337

Benzocaine

C9H11NO2

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

结构：O=C(O)C(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID66619321

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(NC(=O)C(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)cc1

HCID68645493

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-266874ab0f39447187d691ed8098c1af
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

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