HRID213983

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID6406

2-Hydroxy-2-methylpropanenitrile

C4H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

结构：COC(OC)c1c(S(C)(=O)=O)ccc(C(=O)O)c1Cl

HCID18974775

未命名化合物

HCID178418331

未命名化合物

PRODUCTS

生成物

结构：CCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(C(OC)OC)c2Cl)c1O

HCID178463119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b1efce5d36d43bdbf291c95c111fafc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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