HRID2157714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID22082824

Ethyl 1-amino-2-ethenylcyclopropane-1-carboxylate

C8H13NO2

结构：C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(c2ccc(-c3ccccc3)cc2)(S(=O)(=O)CCC)CC1C(=O)O

HCID178443670

未命名化合物

PRODUCTS

生成物

结构：C=CCCCCCC(NC(=O)OC(C)(C)C)C(=O)N1CC(c2ccc(-c3ccccc3)cc2)(S(=O)(=O)CCC)CC1C(=O)NC1(C(=O)OCC)CC1C=C

HCID178443669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5446cec4d694f8ab6cba0983e9a850a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH:81]([N:82]([CH2:83][CH3:84])[CH:85]([CH3:86])[CH3:87])([CH3:88])[CH3:89].[Cl:90][CH2:91][Cl:92].[ClH:56].[NH2:45][C:46]1([C:51](=[O:52])[O:53][CH2:54][CH3:55])[CH:47]([CH:49]=[CH2:50])[CH2:48]1.[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[c:1]1(-[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:2][cH:3][c:4]([C:7]2([S:33](=[O:34])(=[O:35])[CH2:36][CH2:37][CH3:38])[CH2:8][CH:9]([C:30](=[O:31])[OH:32])[N:10]([C:12]([CH:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH:19]=[CH2:20])[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:11]2)[cH:5][cH:6]1.[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[n:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[c:1]1(-[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:2][cH:3][c:4]([C:7]2([S:33](=[O:34])(=[O:35])[CH2:36][CH2:37][CH3:38])[CH2:8][CH:9]([C:30](=[O:31])[NH:45][C:46]3([C:51](=[O:52])[O:53][CH2:54][CH3:55])[CH:47]([CH:49]=[CH2:50])[CH2:48]3)[N:10]([C:12]([CH:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH:19]=[CH2:20])[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:11]2)[cH:5][cH:6]1