HRID1123709

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID260420

Dichlorotriphenylphosphorane

C18H15Cl2P

结构：COC(=O)c1cc2c3c(cc([N+](=O)[O-])c2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)CC3CO

HCID10577983

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc2c3c(cc([N+](=O)[O-])c2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)CC3CCl

HCID394852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7fab3546c8a4d039ef27b1bb082b3ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Cl:1][P:2]([Cl:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[OH2:60].[OH:22][CH2:23][CH:24]1[CH2:25][N:26]([C:43](=[O:44])[c:45]2[nH:46][c:47]3[c:48]([O:58][CH3:59])[c:49]([O:56][CH3:57])[c:50]([O:54][CH3:55])[cH:51][c:52]3[cH:53]2)[c:27]2[c:28]1[c:29]1[cH:30][c:31]([C:39](=[O:40])[O:41][CH3:42])[nH:32][c:33]1[c:34]([N+:36](=[O:37])[O-:38])[cH:35]2.[cH:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1>>[Cl:1][CH2:23][CH:24]1[CH2:25][N:26]([C:43](=[O:44])[c:45]2[nH:46][c:47]3[c:48]([O:58][CH3:59])[c:49]([O:56][CH3:57])[c:50]([O:54][CH3:55])[cH:51][c:52]3[cH:53]2)[c:27]2[c:28]1[c:29]1[cH:30][c:31]([C:39](=[O:40])[O:41][CH3:42])[nH:32][c:33]1[c:34]([N+:36](=[O:37])[O-:38])[cH:35]2