HRID1225277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID8793

N,N'-Dibenzylethane-1,2-diamine

C16H20N2

HCID8796

4-Chlorophenylurea

C7H7ClN2O

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID28179

Fluoride

F-

结构：CC(C)(C)OC(=O)N1C(c2ccc(I)cc2)COC1(C)C

HCID67151644

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C(c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)COC1(C)C

HCID67151498

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-042c5a0cddd841dea29fc93aa6f06387
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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