HRID97289

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：CC(C)CCN(Cc1ccc(CO)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)cs1

HCID23157500

未命名化合物

HCID59364069

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

C11H12O3

PRODUCTS

生成物

结构：COC(=O)C1CC1c1ccc(OCc2ccc(CN(CCC(C)C)c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1

HCID59364067

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88488a66c96942119076d93b1a277893
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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