HRID154974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID239828

3-(dimethylamino)propanoic acid

C5H11NO2

HCID4641409

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

C10H15N6O+

结构：CCCCCNc1nc(N)nc(C)c1CCCNCc1cccc(CC(=O)OC)c1

HCID42613957

未命名化合物

PRODUCTS

生成物

结构：CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CCN(C)C

HCID42612992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b6a938cf6eb40d79b767f2f7d1db893
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

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