HRID1564847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6405

2-Methyl-2-butanol

C5H12O

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID19660

Carbonate

CO3-2

结构：Cc1cc(C(=O)O)c(C)c2c1S(=O)(=O)CCC2(C)C

HCID15869804

未命名化合物

PRODUCTS

生成物

结构：CCn1ncc(C(=O)c2cc(C)c3c(c2C)C(C)(C)CCS3(=O)=O)c1O

HCID178418286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c12721109a1d4eefb9f20e39b3cc979c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:62](=[O:63])([O-:64])[O-:65].[C:68]([OH:69])([CH2:70][CH3:71])([CH3:72])[CH3:73].[CH2:33]([CH3:34])[n:35]1[n:36][cH:37][cH:38][c:39]1[OH:40].[CH3:1][C:2]1([CH3:19])[CH2:3][CH2:4][S:5](=[O:17])(=[O:18])[c:6]2[c:7]([CH3:16])[cH:8][c:9]([C:13](=[O:14])[OH:15])[c:10]([CH3:12])[c:11]21.[CH:47]1([N:48]=[C:49]=[N:50][CH:51]2[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]2)[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[K+:66].[K+:67].[OH:41][c:42]1[nH:43][n:44][cH:45][cH:46]1.[S:20]1[c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[CH2:27][CH2:28][CH:29]1[C:30]([OH:31])=[O:32]>>[CH3:1][C:2]1([CH3:19])[CH2:3][CH2:4][S:5](=[O:17])(=[O:18])[c:6]2[c:7]([CH3:16])[cH:8][c:9]([C:13](=[O:14])[c:38]3[cH:37][n:36][n:35]([CH2:33][CH3:34])[c:39]3[OH:40])[c:10]([CH3:12])[c:11]21