HRID197292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7504

Benzylamine

C7H9N

HCID9886

Hexafluorophosphate ion

F6P-

HCID521913

2-Propanamine, N,N-diethyl-

C7H17N

HCID4641409

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

C10H15N6O+

HCID16640905

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCc1ccc(C(=O)NCc2ccccc2)cc1

HCID59263905

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ad0d05a48984b6a90a292e856a40a6d
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

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