HRID1130564

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID24813

Phosphoric trichloride

Cl3OP

结构：CCOC(=O)N1C=Cc2cc(OCc3ccccc3)c(OC)cc2C1Cc1cccc(OC)c1

HCID21034938

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1C=C(C=O)c2cc(OCc3ccccc3)c(OC)cc2C1Cc1cccc(OC)c1

HCID21034939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d954a72a20e44f997b846933c202c65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:60]([O:61][CH2:62][CH3:63])(=[O:64])[CH3:65].[CH2:11]([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH:17]([CH2:36][c:37]2[cH:38][c:39]([O:43][CH3:44])[cH:40][cH:41][cH:42]2)[c:18]2[cH:19][c:20]([O:34][CH3:35])[c:21]([O:26][CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:22][c:23]2[CH:24]=[CH:25]1.[CH3:1][N:2]([CH:3]=[O:4])[CH3:5].[CH3:46][C:47](=[O:48])[O-:49].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[Cl:50][CH2:51][Cl:52].[K+:45].[OH2:53].[P:6]([Cl:7])([Cl:8])([Cl:9])=[O:10]>>[CH:3](=[O:4])[C:24]1=[CH:25][N:16]([C:14]([O:13][CH2:11][CH3:12])=[O:15])[CH:17]([CH2:36][c:37]2[cH:38][c:39]([O:43][CH3:44])[cH:40][cH:41][cH:42]2)[c:18]2[cH:19][c:20]([O:34][CH3:35])[c:21]([O:26][CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:22][c:23]21