HRID1227146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4277

Dicyclohexylurea

C13H24N2O

HCID6405

2-Methyl-2-butanol

C5H12O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID22118415

未命名化合物

HCID178418331

未命名化合物

PRODUCTS

生成物

结构：CCSC1CCSc2c(Cl)cc(C(=O)Oc3ccnn3CC)c(C)c21

HCID22118393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7878d9b3ed6a46aa8729267b095e2aed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:58]([OH:59])([CH2:60][CH3:61])([CH3:62])[CH3:63].[CH2:19]([CH3:20])[n:21]1[n:22][cH:23][cH:24][c:25]1[OH:26].[CH2:1]([CH3:2])[S:3][CH:4]1[CH2:5][CH2:6][S:7][c:8]2[c:9]([Cl:18])[cH:10][c:11]([C:15](=[O:16])[OH:17])[c:12]([CH3:14])[c:13]21.[CH3:64][CH2:65][CH2:66][CH2:67][CH2:68][CH3:69].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[CH:27]1([N:28]=[C:29]=[N:30][CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[CH:42]1([NH:43][C:44]([NH:45][CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)=[O:52])[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1>>[CH2:1]([CH3:2])[S:3][CH:4]1[CH2:5][CH2:6][S:7][c:8]2[c:9]([Cl:18])[cH:10][c:11]([C:15](=[O:16])[O:17][c:25]3[n:21]([CH2:19][CH3:20])[n:22][cH:23][cH:24]3)[c:12]([CH3:14])[c:13]21