HRID154464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

3 次

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC(C)(C)[Si](C)(C)OCCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+](=O)[O-]

HCID22269956

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCO

HCID22269958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5032b46492144c1bafe98ab78ca1c0cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:22][c:23]1[cH:24][c:25]([NH:29][c:30]2[n:31][cH:32][n:33][c:34]3[cH:35][c:36]([O:43][CH2:44][CH2:45][CH2:46][O:47][Si:48]([C:49]([CH3:50])([CH3:51])[CH3:52])([CH3:53])[CH3:54])[c:37]([N+:40](=[O:41])[O-:42])[cH:38][c:39]23)[cH:26][cH:27][cH:28]1.[CH2:5]([N+:6]([CH2:7][CH2:8][CH2:9][CH3:10])([CH2:11][CH2:12][CH2:13][CH3:14])[CH2:15][CH2:16][CH2:17][CH3:18])[CH2:19][CH2:20][CH3:21].[Cl-:55].[F-:4].[NH4+:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH2:1].[OH2:2].[OH2:3]>>[Br:22][c:23]1[cH:24][c:25]([NH:29][c:30]2[n:31][cH:32][n:33][c:34]3[cH:35][c:36]([O:43][CH2:44][CH2:45][CH2:46][OH:47])[c:37]([N+:40](=[O:41])[O-:42])[cH:38][c:39]23)[cH:26][cH:27][cH:28]1