HRID2323716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID73042

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

C12H20N4O2

结构：OCC=C(c1ccc(-c2cccnc2)cc1)c1ccc(-c2cccnc2)cc1

HCID21986819

未命名化合物

HCID59516001

Ethyl [4-sulfanyl-2-(trifluoromethyl)phenoxy]acetate

C11H11F3O3S

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(SCC=C(c2ccc(-c3cccnc3)cc2)c2ccc(-c3cccnc3)cc2)cc1C(F)(F)F

HCID69620630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de00adf83d254c31acbb0b16f84b282f
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

[CH2:66]([CH3:67])[O:68][C:69]([CH2:70][O:71][c:72]1[c:73]([C:79]([F:80])([F:81])[F:82])[cH:74][c:75]([SH:78])[cH:76][cH:77]1)=[O:83].[CH2:84]1[O:85][CH2:86][CH2:87][CH2:88]1.[N:20]([C:21]([N:22]1[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]1)=[O:28])=[N:29][C:30]([N:31]1[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]1)=[O:37].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[n:38]1[cH:39][c:40](-[c:44]2[cH:45][cH:46][c:47]([C:50](=[CH:51][CH2:52][OH:53])[c:54]3[cH:55][cH:56][c:57](-[c:60]4[cH:61][n:62][cH:63][cH:64][cH:65]4)[cH:58][cH:59]3)[cH:48][cH:49]2)[cH:41][cH:42][cH:43]1>>[n:38]1[cH:39][c:40](-[c:44]2[cH:45][cH:46][c:47]([C:50](=[CH:51][CH2:52][S:78][c:75]3[cH:74][c:73]([C:79]([F:80])([F:81])[F:82])[c:72]([O:71][CH2:70][C:69]([O:68][CH2:66][CH3:67])=[O:83])[cH:77][cH:76]3)[c:54]3[cH:55][cH:56][c:57](-[c:60]4[cH:61][n:62][cH:63][cH:64][cH:65]4)[cH:58][cH:59]3)[cH:48][cH:49]2)[cH:41][cH:42][cH:43]1