HRID2148774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1068

Dimethyl sulfide

C2H6S

HCID7973

2-Bromopyridine

C5H4BrN

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)(C)OC(=O)c1cccc(C=CC(=O)N2C(=O)OCC2Cc2ccccc2)c1

HCID73455865

未命名化合物

HCID178461726

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1cccc(C(CC(=O)N2C(=O)OCC2Cc2ccccc2)c2ccccn2)c1

HCID18672378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c68aaedf31c74af587c02e5db2b15bfe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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