HRID192737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID9886

Hexafluorophosphate ion

F6P-

HCID185780

1H-Indole-3-propanoic acid, 5-chloro-

C11H10ClNO2

HCID4641409

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

C10H15N6O+

HCID11436961

Tert-butyl 3-benzylimidazolidine-1-carboxylate

C15H22N2O2

PRODUCTS

生成物

结构：O=C(CCc1c[nH]c2ccc(Cl)cc12)N1CCN(Cc2ccccc2)C1

HCID66831686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5474b649a81f4f6390a3f3108c6dceb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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