HRID93262

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID65561565

6-Chloro-N-(2-cyclopropylethyl)pyridazine-3-carboxamide

C10H12ClN3O

HCID67171507

未命名化合物

PRODUCTS

生成物

结构：CC1(Oc2ccccc2C(F)(F)F)CCN(c2ccc(C(=O)NCCC3CC3)nn2)CC1

HCID11539635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f3ce98ff80e4ca5a535e2120973a987
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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