HRID114120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID713494

3-(1-adamantyl)propanoic acid

C13H20O2

结构：CC(=O)N1c2ccc(N)cc2C(C)(c2ccccc2)CC1(C)C

HCID2837084

未命名化合物

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：CC(=O)N1c2ccc(NC(=O)CCC34CC5CC(CC(C5)C3)C4)cc2C(C)(c2ccccc2)CC1(C)C

HCID17962905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0c000973e08435aa76ee7a16e81ddd0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

反应 SMILES

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