HRID168854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID67435

1,4-Dioxa-8-azaspiro(4.5)decane

C7H13NO2

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(NC(Cc1ccc(F)cc1)C(=O)O)c1cc2cc(Cl)ncc2[nH]1

HCID72552857

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1ccc(F)cc1)C(=O)N1CCC2(CC1)OCCO2)c1cc2cc(Cl)ncc2[nH]1

HCID178523216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7718f76a40d4224abb2352de4f3be56
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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