HRID945017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID7036

Benzhydrylamine

C13H13N

HCID8471

Triethylamine

C6H15N

结构：COC(=O)c1ccc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(OC)c1

HCID11473263

Methyl 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzoate

C18H16N2O5

PRODUCTS

生成物

结构：COC(=O)c1ccc(Cc2cn(C(=O)NC(c3ccccc3)c3ccccc3)c3ccc([N+](=O)[O-])cc23)c(OC)c1

HCID53638769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58757072828d4b3ca41404efdd61ad2c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:59]([Cl:60])[Cl:61].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:23][CH3:24])[c:7]([CH2:10][c:11]2[cH:12][nH:13][c:14]3[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][c:19]23)[cH:8][cH:9]1)=[O:25].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl:33][C:34]([Cl:35])=[O:36].[ClH:44].[NH2:45][CH:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([O:23][CH3:24])[c:7]([CH2:10][c:11]2[cH:12][n:13]([C:34](=[O:36])[NH:45][CH:46]([c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)[c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[c:14]3[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][c:19]23)[cH:8][cH:9]1)=[O:25]