HRID213252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8459

N,N-Bis(1-methylethyl)-1,2-ethanediamine

C8H20N2

HCID8471

Triethylamine

C6H15N

HCID94429

Triphosgene

C3Cl6O3

结构：COc1cc2nccc(Oc3ccc(N)c([N+](=O)[O-])c3)c2cc1OC

HCID21890730

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(NC(=O)NCCN(C(C)C)C(C)C)c([N+](=O)[O-])c3)c2cc1OC

HCID21890395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53b23fb9cbd24ee2ae32a1a9c84f371c
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

[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]([N+:23](=[O:24])[O-:25])[c:19]([NH2:20])[cH:21][cH:22]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH:45]([CH3:46])([CH3:47])[N:48]([CH2:49][CH2:50][NH2:51])[CH:52]([CH3:53])[CH3:54].[CH:55]([Cl:56])([Cl:57])[Cl:58].[Cl:33][C:34]([Cl:35])([O:36][C:37]([O:38][C:39]([Cl:40])([Cl:41])[Cl:42])=[O:43])[Cl:44].[OH2:59]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:15][c:16]3[cH:17][c:18]([N+:23](=[O:24])[O-:25])[c:19]([NH:20][C:37](=[O:43])[NH:51][CH2:50][CH2:49][N:48]([CH:45]([CH3:46])[CH3:47])[CH:52]([CH3:53])[CH3:54])[cH:21][cH:22]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]