HRID1562572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6406

2-Hydroxy-2-methylpropanenitrile

C4H7NO

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

结构：Cc1c(C(=O)O)ccc(S(C)(=O)=O)c1-c1ccc(S(C)(=O)=O)cc1

HCID21183143

未命名化合物

HCID178448738

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)c2cnn(C(C)(C)C)c2O)ccc(S(C)(=O)=O)c1-c1ccc(S(C)(=O)=O)cc1

HCID178428874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11efceea898a4f1ab1812515e95ab09a
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

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