HRID307879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

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+

HCID5046859

未命名化合物

结构：COC(=O)C1CC(SC(C)C)(c2ccc(-c3ccccc3)cc2)CN1

HCID67030730

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CC(SC(C)C)(c2ccc(-c3ccccc3)cc2)CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C

HCID178498627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36e29d92a68c417cb797d01404ae9e24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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