HRID1556273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2724942

未命名化合物

HCID66782702

未命名化合物

HCID66783257

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCOCc1ccccc1)NCC(C)Nc1ccc(Cl)c(Cl)c1

HCID66783304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da1f6696d14a4451aaab721a459fa1f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:32][O:33][C:34]([CH:35]([CH2:36][CH2:37][O:38][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[NH2:46])=[O:47].[CH3:70][CH2:71][O:72][C:73]([CH3:74])=[O:75].[CH3:76][CH2:77][CH2:78][CH2:79][CH2:80][CH2:81][CH3:82].[CH3:7][S:8]([CH3:9])=[O:10].[Cl:11][c:12]1[cH:13][c:14]([NH:19][CH:20]([CH2:21][OH:22])[CH3:23])[cH:15][cH:16][c:17]1[Cl:18].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:67][CH2:68][Cl:69].[ClH:31].[Na+:61].[Na+:66].[O-:62][C:63]([OH:64])=[O:65]>>[Cl:11][c:12]1[cH:13][c:14]([NH:19][CH:20]([CH2:21][NH:46][CH:35]([C:34]([O:33][CH3:32])=[O:47])[CH2:36][CH2:37][O:38][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH3:23])[cH:15][cH:16][c:17]1[Cl:18]