HRID2137841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID521305

1-Chloroethyl carbonochloridate

C3H4Cl2O2

结构：FC1(c2ccc(C3=NOC(c4cc(Cl)c(Cl)c(Cl)c4)(C(F)(F)F)C3)cc2Br)CN(C(c2ccccc2)c2ccccc2)C1

HCID86661737

未命名化合物

PRODUCTS

生成物

结构：FC1(c2ccc(C3=NOC(c4cc(Cl)c(Cl)c(Cl)c4)(C(F)(F)F)C3)cc2Br)CNC1

HCID86661738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd1b1a1df4d844dba2f97e073487291f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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