HRID681670

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID124611

Tributylbenzylammonium

C19H34N+

结构：COc1cc(CCC=O)ccc1OCc1nc(-c2ccccc2)oc1C

HCID21224462

未命名化合物

HCID178511850

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCC(C#N)OC(C)=O)ccc1OCc1nc(-c2ccccc2)oc1C

HCID21224424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04d6eebf5c82412a98e3f68fcdcbc278
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:23][CH2:24][CH:25]=[O:26])[cH:6][cH:7][c:8]1[O:9][CH2:10][c:11]1[n:12][c:13](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[o:14][c:15]1[CH3:16].[CH3:30][C:31](=[O:32])[O:33][C:34](=[O:35])[CH3:36].[Cl-:38].[Cl:59][CH2:60][Cl:61].[Na:27][C:28]#[N:29].[OH2:37]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:23][CH2:24][CH:25]([O:26][C:31]([CH3:30])=[O:32])[C:28]#[N:29])[cH:6][cH:7][c:8]1[O:9][CH2:10][c:11]1[n:12][c:13](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[o:14][c:15]1[CH3:16]