HRID208663

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

HCID120273

N-Iodosuccinimide

C4H4INO2

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

HCID24773452

未命名化合物

PRODUCTS

生成物

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

HCID24773959

N-Ethyl-4-iodo-5-[5-(1-methylethyl)-2,4-bis(phenylmethoxy)phenyl]-3-isoxazolecarboxamide

C29H29IN2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-537b68444a394874bf0a73155597d634
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

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