HRID1126176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6385

tert-Butylamine

C4H11N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

结构：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)C(=O)O)C1=O

HCID76834394

未命名化合物

PRODUCTS

生成物

结构：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CC)C(=O)NC(C)(C)C)C1=O

HCID76834377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e7634dee09943fabb5230040cf61fae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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