HRID101400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

结构：OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F

HCID9870704

未命名化合物

结构：COC(=O)c1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1

HCID10993963

未命名化合物

HCID16682925

Aluminum, trimethyl-

C3H9Al

HCID57456614

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)c1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1

HCID23506078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cba2c4eac2948b5849eef95b834660e
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

[CH3:2][NH:3][CH3:4].[CH3:5][Al:6]([CH3:7])[CH3:8].[CH3:76][N:77]([Al:78][CH2:79][Cl:80])[CH3:81].[CH3:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[CH3:89][CH2:90][O:91][C:92](=[O:93])[CH3:94].[ClH:1].[O:44]([c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[c:51]1[cH:52][c:53]([N:57]([CH2:58][CH:59]([C:60]([F:61])([F:62])[F:63])[OH:64])[CH2:65][c:66]2[cH:67][c:68]([C:69](=[O:70])[O:71][CH3:72])[cH:73][cH:74][cH:75]2)[cH:54][cH:55][cH:56]1.[O:9]([c:10]1[cH:11][c:12]([N:13]([CH2:14][c:15]2[cH:16][cH:17][cH:18][c:19]([O:20][C:21]([F:22])([F:23])[CH:24]([F:25])[F:26])[cH:27]2)[CH2:28][CH:29]([OH:30])[C:31]([F:32])([F:33])[F:34])[cH:35][cH:36][cH:37]1)[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH3:2][N:3]([CH3:4])[C:69]([c:68]1[cH:67][c:66]([CH2:65][N:57]([c:53]2[cH:52][c:51]([O:44][c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[cH:56][cH:55][cH:54]2)[CH2:58][CH:59]([C:60]([F:61])([F:62])[F:63])[OH:64])[cH:75][cH:74][cH:73]1)=[O:70]