HRID2349841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2777907

O-tert-butylhydroxylamine

C4H11NO

结构：COc1ccc(S(=O)(=O)N(Cc2cccnc2)C(C(=O)O)C(C)C)cc1

HCID22907194

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N(Cc2cccnc2)C(C(=O)NOC(C)(C)C)C(C)C)cc1

HCID22907132

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1713c8bf5a6b4e5694c7ed8c7cd77d58
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:46]([CH3:47])([CH3:48])([CH3:49])[O:50][NH2:51].[CH2:64]([Cl:65])[Cl:66].[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[N:13]([CH:14]([C:15](=[O:16])[OH:17])[CH:18]([CH3:19])[CH3:20])[CH2:21][c:22]2[cH:23][n:24][cH:25][cH:26][cH:27]2)[cH:8][cH:9]1.[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[CH3:53][N:54]([CH2:55][CH2:56][CH2:57][N:58]=[C:59]=[N:60][CH2:61][CH3:62])[CH3:63].[ClH:1].[ClH:45].[ClH:52].[OH2:67].[OH:28][n:29]1[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[CH3:2][O:3][c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[N:13]([CH:14]([C:15](=[O:17])[NH:51][O:50][C:46]([CH3:47])([CH3:48])[CH3:49])[CH:18]([CH3:19])[CH3:20])[CH2:21][c:22]2[cH:23][n:24][cH:25][cH:26][cH:27]2)[cH:8][cH:9]1