HRID2324859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID13831

Tributylphosphine

C12H27P

HCID73042

1,1′-(1,2-Diazenediyl)bis[1-(1-piperidinyl)methanone]

C12H20N4O2

结构：Cc1cc(OC2CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CO)c1

HCID59342608

未命名化合物

HCID59364069

Methyl 2-(4-hydroxyphenyl)cyclopropane-1-carboxylate

C11H12O3

PRODUCTS

生成物

结构：COC(=O)C1CC1c1ccc(OCc2cccc(-c3c(C)cc(OC4CCS(=O)(=O)CC4)cc3C)c2)cc1

HCID59364070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43d33ba51f864f9ea4c08654c3d3cd1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:40]([P:41]([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH3:52].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH3:78][CH2:79][CH2:80][CH2:81][CH2:82][CH3:83].[N:53]([C:54]([N:55]1[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1)=[O:61])=[N:62][C:63]([N:64]1[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1)=[O:70].[O:15]=[S:16]1(=[O:39])[CH2:17][CH2:18][CH:19]([O:22][c:23]2[cH:24][c:25]([CH3:38])[c:26](-[c:30]3[cH:31][c:32]([CH2:36][OH:37])[cH:33][cH:34][cH:35]3)[c:27]([CH3:29])[cH:28]2)[CH2:20][CH2:21]1.[OH:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([C:11](=[O:12])[O:13][CH3:14])[CH2:10]2)[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([C:11](=[O:12])[O:13][CH3:14])[CH2:10]2)[cH:6][cH:7]1)[CH2:36][c:32]1[cH:31][c:30](-[c:26]2[c:25]([CH3:38])[cH:24][c:23]([O:22][CH:19]3[CH2:18][CH2:17][S:16](=[O:15])(=[O:39])[CH2:21][CH2:20]3)[cH:28][c:27]2[CH3:29])[cH:35][cH:34][cH:33]1