HRID299852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

2 次

HCID14917

Hydrogen fluoride

3 次

结构：OC1(c2ccc(C3=NOC(c4cc(Cl)c(Cl)c(Cl)c4)(C(F)(F)F)C3)cc2Br)CN(C(c2ccccc2)c2ccccc2)C1

HCID71623197

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)CN(C(c2ccccc2)c2ccccc2)C1

HCID86661737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a9466964b3048e985ff86ca689441f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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