HRID803058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID17208

Benzyltriethylammonium

C13H22N+

结构：Cn1cncc1C(O)(c1ccc(Cl)nc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1

HCID15537835

未命名化合物

PRODUCTS

生成物

结构：Cn1cncc1C(O)(c1ccc(Cl)nc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C

HCID11179363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-781bd8078220482c9049b481f8bec401
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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