HRID2146678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2776544

ethyl 4-(chlorosulfonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

C9H12ClNO4S

结构：CC(C)(C)c1cc(SC2CCNCC2)cc(C(C)(C)C)c1O

HCID86635428

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCC(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c1C

HCID86635429

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aead6f4ad1c54d308afa7454ce79f599
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[c:7]([OH:23])[c:8]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:9][c:10]([S:12][CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[cH:11]1.[CH2:31]([CH3:32])[O:33][C:34](=[O:35])[c:36]1[nH:37][c:38]([CH3:46])[c:39]([S:42](=[O:43])(=[O:44])[Cl:45])[c:40]1[CH3:41].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cl:47][CH2:48][Cl:49].[ClH:1]>>[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[c:7]([OH:23])[c:8]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:9][c:10]([S:12][CH:13]2[CH2:14][CH2:15][N:16]([S:42]([c:39]3[c:38]([CH3:46])[nH:37][c:36]([C:34]([O:33][CH2:31][CH3:32])=[O:35])[c:40]3[CH3:41])(=[O:43])=[O:44])[CH2:17][CH2:18]2)[cH:11]1