HRID152721

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2736899

Methyl 5-(chlorosulfonyl)-1-methyl-1H-pyrrole-2-carboxylate

C7H8ClNO4S

结构：CC(=O)OCCC1(Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CCNCC1

HCID86635424

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(S(=O)(=O)N2CCC(CCOC(C)=O)(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)n1C

HCID86635425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65f2b6b631be4ebbb2dc835d6a1be60f
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:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([S:17][C:18]2([CH2:24][CH2:25][O:26][C:27]([CH3:28])=[O:29])[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]2)[cH:9][c:10]([C:13]([CH3:14])([CH3:15])[CH3:16])[c:11]1[OH:12].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][O:38][C:39](=[O:40])[c:41]1[n:42]([CH3:50])[c:43]([S:46](=[O:47])(=[O:48])[Cl:49])[cH:44][cH:45]1.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl:51][CH2:52][Cl:53].[ClH:1]>>[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([S:17][C:18]2([CH2:24][CH2:25][O:26][C:27]([CH3:28])=[O:29])[CH2:19][CH2:20][N:21]([S:46]([c:43]3[n:42]([CH3:50])[c:41]([C:39]([O:38][CH3:37])=[O:40])[cH:45][cH:44]3)(=[O:47])=[O:48])[CH2:22][CH2:23]2)[cH:9][c:10]([C:13]([CH3:14])([CH3:15])[CH3:16])[c:11]1[OH:12]