HRID290325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID33699394

未命名化合物

HCID66703826

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)CCc2ccc(NC(=O)c3ccc(F)nc3NC3CCCCC3)cc21

HCID66703873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e63e16cb0e949ed8e8fe5409f3df983
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

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