HRID199426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

2 次

HCID644041

Methanaminium

CH6N+

HCID4641409

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

C10H15N6O+

HCID14578458

3-Methylpyrrolidin-3-ol

C5H11NO

结构：COc1cccc(C2Nc3ccc(C(=O)O)cc3CC2(C)C)c1

HCID67441216

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C2Nc3ccc(C(=O)N4CCC(C)(O)C4)cc3CC2(C)C)c1

HCID58476155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5473478e803b4495bd43b1e175673fab
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

[CH2:57]([N:58]([CH2:59][CH3:60])[CH2:61][CH3:62])[CH3:63].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:9]2[NH:10][c:11]3[cH:12][cH:13][c:14]([C:21](=[O:22])[OH:23])[cH:15][c:16]3[CH2:17][C:18]2([CH3:19])[CH3:20])[cH:6][cH:7][cH:8]1.[CH3:24][NH3+:25].[CH3:64][C:65]1([OH:70])[CH2:66][NH:67][CH2:68][CH2:69]1.[Cl:71][CH2:72][Cl:73].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[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>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:9]2[NH:10][c:11]3[cH:12][cH:13][c:14]([C:21](=[O:22])[N:67]4[CH2:66][C:65]([CH3:64])([OH:70])[CH2:69][CH2:68]4)[cH:15][c:16]3[CH2:17][C:18]2([CH3:19])[CH3:20])[cH:6][cH:7][cH:8]1