HRID189818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID87984

N-Ethyl-N-(3-methylphenyl)ethane-1,2-diamine

C11H18N2

HCID94429

Triphosgene

C3Cl6O3

结构：COc1cc2ncnc(Oc3ccc(N)c([N+](=O)[O-])c3)c2cc1OC

HCID17755401

未命名化合物

PRODUCTS

生成物

结构：CCN(CCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1[N+](=O)[O-])c1cccc(C)c1

HCID21890997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50e87b3457f749e5a435551d41065c8e
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

[CH2:45]([CH3:46])[N:47]([CH2:48][CH2:49][NH2:50])[c:51]1[cH:52][c:53]([CH3:57])[cH:54][cH:55][cH:56]1.[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)[n: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:58]([Cl:59])([Cl:60])[Cl:61].[Cl:33][C:34]([Cl:35])([O:36][C:37]([O:38][C:39]([Cl:40])([Cl:41])[Cl:42])=[O:43])[Cl:44].[OH2:62]>>[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:50][CH2:49][CH2:48][N:47]([CH2:45][CH3:46])[c:51]4[cH:52][c:53]([CH3:57])[cH:54][cH:55][cH:56]4)[cH:21][cH:22]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]