HRID687435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

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+

结构：O=C(O)CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1

HCID45439091

未命名化合物

HCID68929026

未命名化合物

PRODUCTS

生成物

结构：N#CCc1ccc2c(c1)OCCC2NC(=O)CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1

HCID68932619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e849fce4b174dc495f2cc9a373579fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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