HRID696271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3442

Fusaric acid

C10H13NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7917

Isopropyl chloroformate

C4H7ClO2

HCID8471

Triethylamine

C6H15N

结构：CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1

HCID11360802

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(C(=O)N2CCC(Oc3ncnc4c3cnn4-c3ccc(S(C)(=O)=O)cc3)CC2)nc1

HCID21897785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfcc9986d91e40dba0a1e047d2252932
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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