HRID171388

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

HCID2777907

O-tert-butylhydroxylamine

C4H11NO

结构：COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(C(=O)O)CCN(Cc3ccccc3)CC2)cc1

HCID22907230

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2(C(=O)NOC(C)(C)C)CCN(Cc3ccccc3)CC2)cc1

HCID22907047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93d3a57b57ba4f90a6b6e5b6e17bced2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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