HRID671849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID66016

Benzyl(methyl)(2-methylaminoethyl)amine

C11H18N2

HCID78282

Benzoyl chloride, 3,4,5-trimethoxy-

C10H11ClO4

HCID20073387

未命名化合物

HCID20073388

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N(C)CCN(C)C(=O)C=C(c2ccc(F)cc2)c2ccc(F)cc2)cc(OC)c1OC

HCID20073401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa6e349ef80e48b1848031db982d3397
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

[CH3:14][O:15][c:16]1[cH:17][c:18]([C:26]([Cl:27])=[O:28])[cH:19][c:20]([O:21][CH3:22])[c:23]1[O:24][CH3:25].[CH3:1][N:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH2:10][CH2:11][NH:12][CH3:13].[CH3:29][N:30]([CH2:31][CH2:32][NH:33][CH3:34])[C:35]([c:36]1[cH:37][c:38]([O:46][CH3:47])[c:39]([O:44][CH3:45])[c:40]([O:42][CH3:43])[cH:41]1)=[O:48].[CH3:69][OH:70].[Cl:71][CH2:72][Cl:73].[F:49][c:50]1[cH:51][cH:52][c:53]([C:56](=[CH:57][C:58](=[O:59])[Cl:60])[c:61]2[cH:62][cH:63][c:64]([F:67])[cH:65][cH:66]2)[cH:54][cH:55]1.[OH2:68]>>[CH3:29][N:30]([CH2:31][CH2:32][N:33]([CH3:34])[C:58]([CH:57]=[C:56]([c:53]1[cH:52][cH:51][c:50]([F:49])[cH:55][cH:54]1)[c:61]1[cH:62][cH:63][c:64]([F:67])[cH:65][cH:66]1)=[O:59])[C:35]([c:36]1[cH:37][c:38]([O:46][CH3:47])[c:39]([O:44][CH3:45])[c:40]([O:42][CH3:43])[cH:41]1)=[O:48]