HRID122186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID10969393

未命名化合物

HCID11043751

Ethyl 6-chloro-α,α-dimethylimidazo[1,2-b]pyridazine-2-acetate

C12H14ClN3O2

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)c1cn2nc(NCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)ccc2n1

HCID9872422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38bc3c4b86b94114819360c188d940b3
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

[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:55][S:56](=[O:57])[CH3:58].[Cl:25][c:26]1[cH:27][cH:28][c:29]2[n:30]([n:31]1)[cH:32][c:33]([C:35]([C:36](=[O:37])[O:38][CH2:39][CH3:40])([CH3:41])[CH3:42])[n:34]2.[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH2:59].[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH2:18])[CH2:13][CH2:14]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([O:8][CH:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][NH:18][c:26]3[cH:27][cH:28][c:29]4[n:30]([n:31]3)[cH:32][c:33]([C:35]([C:36](=[O:37])[O:38][CH2:39][CH3:40])([CH3:41])[CH3:42])[n:34]4)[CH2:13][CH2:14]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1