HRID184213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID825

4-Hydroxyproline

C5H9NO3

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

结构：CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1

HCID57385883

未命名化合物

PRODUCTS

生成物

结构：CC1=NC2(N=C1N)c1cc(N)ccc1CC21CCC(F)(F)CC1

HCID57386150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d01d87bf16c84837aa05f6fced51fbad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:16]([cH:17]1)[C:15]1([C:7]3([CH2:6]2)[CH2:8][CH2:9][C:10]([F:13])([F:14])[CH2:11][CH2:12]3)[N:18]=[C:19]([CH3:23])[C:20]([NH2:22])=[N:21]1.[CH3:40][S:41]([CH3:42])=[O:43].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[Cu:50][I:51].[K+:33].[K+:34].[NH3:39].[O-:35][C:36]([O-:37])=[O:38].[OH:24][CH:25]1[CH2:26][CH:28]([C:29](=[O:30])[OH:31])[NH:27][CH2:32]1>>[c:2]1([NH2:27])[cH:3][cH:4][c:5]2[c:16]([cH:17]1)[C:15]1([C:7]3([CH2:6]2)[CH2:8][CH2:9][C:10]([F:13])([F:14])[CH2:11][CH2:12]3)[N:18]=[C:19]([CH3:23])[C:20]([NH2:22])=[N:21]1