HRID2151550

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

HCID57345855

Methyl (6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate

C11H12O4

结构：Cc1c(C)c(-c2cccc(CO)c2)c(C)c(C)c1OCCCS(C)(=O)=O

HCID59342583

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1COc2cc(OCc3cccc(-c4c(C)c(C)c(OCCCS(C)(=O)=O)c(C)c4C)c3)ccc21

HCID72259612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7d57e8a65fa48d495aed00bbfa0e4fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:42]([P:43]([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH3:54].[CH3:16][c:17]1[c:18](-[c:34]2[cH:35][c:36]([CH2:40][OH:41])[cH:37][cH:38][cH:39]2)[c:19]([CH3:33])[c:20]([CH3:32])[c:21]([O:24][CH2:25][CH2:26][CH2:27][S:28](=[O:29])(=[O:30])[CH3:31])[c:22]1[CH3:23].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH3:80][CH2:81][CH2:82][CH2:83][CH2:84][CH3:85].[N:55]([C:56]([N:57]1[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1)=[O:63])=[N:64][C:65]([N:66]1[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1)=[O:72].[OH:1][c:2]1[cH:3][c:4]2[c:5]([cH:14][cH:15]1)[CH:6]([CH2:9][C:10](=[O:11])[O:12][CH3:13])[CH2:7][O:8]2>>[O:1]([c:2]1[cH:3][c:4]2[c:5]([cH:14][cH:15]1)[CH:6]([CH2:9][C:10](=[O:11])[O:12][CH3:13])[CH2:7][O:8]2)[CH2:40][c:36]1[cH:35][c:34](-[c:18]2[c:17]([CH3:16])[c:22]([CH3:23])[c:21]([O:24][CH2:25][CH2:26][CH2:27][S:28](=[O:29])(=[O:30])[CH3:31])[c:20]([CH3:32])[c:19]2[CH3:33])[cH:39][cH:38][cH:37]1