HRID126586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID22351203

未命名化合物

HCID22973281

Carbamic acid, [4-(1-methyl-1H-tetrazol-5-yl)phenyl]-, phenyl ester

C15H13N5O2

PRODUCTS

生成物

结构：Cn1nnnc1-c1ccc(NC(=O)NCCCN2CCCC(Cc3ccc(F)cc3)C2)cc1

HCID22351221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f31e140188a45d09ee7207273dfe5d2
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

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