HRID1227208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID13831

Tributylphosphine

C12H27P

HCID73042

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

C12H20N4O2

HCID10632853

β-Alanine, N-(4-hydroxybenzoyl)-, methyl ester

C11H13NO4

HCID21935952

{6-[4-(Trifluoromethyl)phenyl]pyridin-3-yl}methanol

C13H10F3NO

PRODUCTS

生成物

结构：COC(=O)CCNC(=O)c1ccc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)cc1

HCID67343522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbb7b8fe1535477c92943ad4ca1cf1ad
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

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