HRID290974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24813

Phosphoric trichloride

Cl3OP

HCID15754138

未命名化合物

结构：CC12CCC(C#N)=CC1=CCC1C2CCC2(C)C(C(=O)O)CCC12

HCID178421221

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)cc(C(C)(C)NC(=O)C2CCC3C4CC=C5C=C(C#N)CCC5(C)C4CCC23C)c1

HCID178493448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae6f90b2878e4f8aa3e4254538e57e22
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

[C:11](#[N:12])[C:13]1=[CH:14][C:15]2=[CH:16][CH2:17][CH:18]3[CH:19]4[CH2:20][CH2:21][CH:22]([C:32](=[O:33])[OH:34])[C:23]4([CH3:24])[CH2:25][CH2:26][CH:27]3[C:28]2([CH3:31])[CH2:29][CH2:30]1.[CH2:49]([Cl:50])[Cl:51].[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:35][O:36][c:37]1[cH:38][c:39]([C:45]([CH3:46])([CH3:47])[NH2:48])[cH:40][c:41]([O:43][CH3:44])[cH:42]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[P:6]([Cl:7])([Cl:8])([Cl:9])=[O:10]>>[C:11](#[N:12])[C:13]1=[CH:14][C:15]2=[CH:16][CH2:17][CH:18]3[CH:19]4[CH2:20][CH2:21][CH:22]([C:32](=[O:33])[NH:48][C:45]([c:39]5[cH:38][c:37]([O:36][CH3:35])[cH:42][c:41]([O:43][CH3:44])[cH:40]5)([CH3:46])[CH3:47])[C:23]4([CH3:24])[CH2:25][CH2:26][CH:27]3[C:28]2([CH3:31])[CH2:29][CH2:30]1