HRID136381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID13831

Tributylphosphine

C12H27P

HCID73042

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

C12H20N4O2

HCID2775198

1-(2,4-Dihydroxy-3-propylphenyl)ethan-1-one

C11H14O3

HCID61679694

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(OCc2cccc(Oc3ccc(C#N)cn3)c2)ccc(C(C)=O)c1O

HCID68535209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a75d31200b4f4e1ebf42a95c7c1dc307
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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