HRID2325490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CCOC(=O)C1CCOc2cc(Oc3ccc(C(=O)O)cc3)c(Cl)cc21

HCID58244395

未命名化合物

HCID58244616

4-Chloro-2-methoxybenzeneethanamine

C9H12ClNO

PRODUCTS

生成物

结构：CCOC(=O)C1CCOc2cc(Oc3ccc(C(=O)NCCc4ccc(Cl)cc4OC)cc3)c(Cl)cc21

HCID67080996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5ce3150ff0c4d02814370474f111a4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:59]([N:60]=[C:61]=[N:62][CH2:63][CH2:64][CH2:65][N:66]([CH3:67])[CH3:68])[CH3:69].[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:73][CH2:74][O:75][C:76]([CH3:77])=[O:78].[Cl:21][c:22]1[cH:23][c:24]2[c:29]([cH:30][c:31]1[O:32][c:33]1[cH:34][cH:35][c:36]([C:37](=[O:38])[OH:39])[cH:40][cH:41]1)[O:28][CH2:27][CH2:26][CH:25]2[C:42](=[O:43])[O:44][CH2:45][CH3:46].[Cl:2][c:3]1[cH:4][c:5]([O:12][CH3:13])[c:6]([CH2:9][CH2:10][NH2:11])[cH:7][cH:8]1.[Cl:70][CH2:71][Cl:72].[ClH:1].[ClH:58].[OH2:47].[n:48]1([OH:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[Cl:2][c:3]1[cH:4][c:5]([O:12][CH3:13])[c:6]([CH2:9][CH2:10][NH:11][C:37]([c:36]2[cH:35][cH:34][c:33]([O:32][c:31]3[c:22]([Cl:21])[cH:23][c:24]4[c:29]([cH:30]3)[O:28][CH2:27][CH2:26][CH:25]4[C:42](=[O:43])[O:44][CH2:45][CH3:46])[cH:41][cH:40]2)=[O:38])[cH:7][cH:8]1