HRID186215

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6115

Aniline

C6H7N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：CC(C)(C)OC(=O)N1CCC2C1C(C(=O)O)CN2C(=O)OCc1ccccc1

HCID67216716

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2C1C(C(=O)Nc1ccccc1)CN2C(=O)OCc1ccccc1

HCID67281275

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0370f5b0f324bf2b6cf9cfba0ee810e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]2[N:12]([C:19](=[O:20])[O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:13][CH:14]([C:16](=[O:17])[OH:18])[CH:15]12.[CH3:69][N:70]1[CH2:71][CH2:72][CH2:73][C:74]1=[O:75].[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[NH2:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]2[N:12]([C:19](=[O:20])[O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:13][CH:14]([C:16](=[O:18])[NH:62][c:63]3[cH:64][cH:65][cH:66][cH:67][cH:68]3)[CH:15]12