HRID1237239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID13831

Tributylphosphine

C12H27P

HCID73042

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

C12H20N4O2

HCID16641178

未命名化合物

结构：CC(O)c1cccc2cn(-c3ccc(C(F)(F)F)cc3)nc12

HCID57718484

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(OC(C)c2cccc3cn(-c4ccc(C(F)(F)F)cc4)nc23)cc1C

HCID68857001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48a20763704642cab215d302520fe619
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

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