HRID162160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID74393

Silane, chloro(chloromethyl)dimethyl-

C3H8Cl2Si

HCID104967

Cesium(1+)

Cs+

HCID589711

未命名化合物

结构：O=C(Nc1ncccc1Cl)c1cc2c(s1)-c1ccccc1OCC2

HCID57900342

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1cc2c(s1)-c1ccccc1OCC2)c1ncccc1Cl

HCID57900248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39c55f36ed794ed0a7fe76d9659aee34
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

[CH3:25][SiH:26]([CH3:27])[N:28]([CH3:29])[Si:30]([CH3:31])([CH3:32])[CH3:33].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[CH3:51][C:52]#[N:53].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:1][c:2]1[c:3]([NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([s:24]2)-[c:15]2[c:16]([cH:20][cH:21][cH:22][cH:23]2)[O:17][CH2:18][CH2:19]3)[n:4][cH:5][cH:6][cH:7]1.[Cl:34][Si:35]([CH2:36][Cl:37])([CH3:38])[CH3:39].[Cs+:50].[F-:49].[OH2:54]>>[Cl:1][c:2]1[c:3]([N:8]([C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:14]([s:24]2)-[c:15]2[c:16]([cH:20][cH:21][cH:22][cH:23]2)[O:17][CH2:18][CH2:19]3)[CH3:25])[n:4][cH:5][cH:6][cH:7]1