HRID169342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID943

Nitrate

NO3-

HCID6342

Acetonitrile

C2H3N

HCID23974

Cerium

HCID120273

N-Iodosuccinimide

C4H4INO2

结构：CCNC(=O)c1cc(-c2cc(C(C)(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)on1

HCID24773355

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)c1noc(-c2cc(C(C)(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1I

HCID24773448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15f76417713b46e1922260820b04666d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:9]([CH3:10])[NH:11][C:12](=[O:13])[c:14]1[n:15][o:16][c:17](-[c:19]2[c:20]([O:37][CH2:38][c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:21][c:22]([O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:23]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:24]2)[cH:18]1.[CH3:51][C:52]#[N:53].[Ce:49].[I:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[N+:45]([O-:46])([O-:47])=[O:48].[NH4+:50]>>[I:1][c:18]1[c:14]([C:12]([NH:11][CH2:9][CH3:10])=[O:13])[n:15][o:16][c:17]1-[c:19]1[c:20]([O:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:21][c:22]([O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:23]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:24]1