HRID87479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID78282

Benzoyl chloride, 3,4,5-trimethoxy-

C10H11ClO4

HCID15472747

2-[2-(3,4-Dichlorophenyl)morpholin-2-yl]ethan-1-ol

C12H15Cl2NO2

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCOC(CCO)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

HCID18427513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-276c938c4c3440e3a526a853740f38cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:25][O:26][c:27]1[cH:28][c:29]([C:30](=[O:31])[Cl:32])[cH:33][c:34]([O:38][CH3:39])[c:35]1[O:36][CH3:37].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:49][C:50]#[N:51].[Cl:1][c:2]1[cH:3][c:4]([C:9]2([CH2:15][CH2:16][OH:17])[O:10][CH2:11][CH2:12][NH:13][CH2:14]2)[cH:5][cH:6][c:7]1[Cl:8].[ClH:40].[OH2:48]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([CH2:15][CH2:16][OH:17])[O:10][CH2:11][CH2:12][N:13]([C:30]([c:29]3[cH:28][c:27]([O:26][CH3:25])[c:35]([O:36][CH3:37])[c:34]([O:38][CH3:39])[cH:33]3)=[O:31])[CH2:14]2)[cH:5][cH:6][c:7]1[Cl:8]