HRID2339283

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID17750674

1-[3-Fluoro-4-(trifluoromethoxy)phenyl]methanamine

C8H7F4NO

结构：CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(C(=O)O)C1

HCID178452405

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(C(=O)NCc2ccc(OC(F)(F)F)c(F)c2)C1

HCID72362702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa84ee1433da4f508f0be43f9b934f99
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

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