HRID690478

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

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(Cc2ccccc2)C(Cc2nnn(C)n2)C(=O)O)cc1

HCID22907136

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N(Cc2ccccc2)C(Cc2nnn(C)n2)C(=O)NOC(C)(C)C)cc1

HCID22907048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dff467b9f7214361b46ab21b2c576a81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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