HRID91990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID104967

Cesium(1+)

Cs+

2 次

HCID12762443

1-(Propan-2-yl)-1H-1,2,4-triazole

C5H9N3

HCID58204516

Methyl 2-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-9-carboxylate

C13H11IN2O3

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)OCCn1cc(-c3ncnn3C(C)C)nc1-2

HCID58204510

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ac68b27c546495e9e25f90e97813f28
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

[C:28](=[O:29])([O-:30])[O-:31].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[CH:20]([CH3:21])([CH3:22])[n:23]1[n:24][cH:25][n:26][cH:27]1.[Cs+:32].[Cs+:33].[Cu:37][I:38].[I:1][c:2]1[n:3][c:4]2[n:5]([cH:19]1)[CH2:6][CH2:7][O:8][c:9]1[c:10]-2[cH:11][cH:12][c:13]([C:15](=[O:16])[O:17][CH3:18])[cH:14]1.[NH4+:36].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH-:35].[OH2:34]>>[c:2]1(-[c:27]2[n:23]([CH:20]([CH3:21])[CH3:22])[n:24][cH:25][n:26]2)[n:3][c:4]2[n:5]([cH:19]1)[CH2:6][CH2:7][O:8][c:9]1[c:10]-2[cH:11][cH:12][c:13]([C:15](=[O:16])[O:17][CH3:18])[cH:14]1