HRID2331800

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：Cc1nc2cnc3cc(OCc4ccoc4)ccc3c2n1CC(C)C

HCID67051051

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2c(N)nc3cc(OCc4ccoc4)ccc3c2n1CC(C)C

HCID57545326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2e650e53d214d679a74ae200f1159a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Cl:50][CH2:51][Cl:52].[NH4+:37].[OH-:38].[OH:26][O:27][C:28]([c:29]1[cH:30][c:31]([Cl:32])[cH:33][cH:34][cH:35]1)=[O:36].[c:39]1([CH3:40])[cH:41][cH:42][c:43]([S:44]([Cl:45])(=[O:46])=[O:47])[cH:48][cH:49]1.[o:1]1[cH:2][c:3]([CH2:6][O:7][c:8]2[cH:9][cH:10][c:11]3[c:12]4[c:13]([cH:14][n:15][c:16]3[cH:17]2)[n:18][c:19]([CH3:25])[n:20]4[CH2:21][CH:22]([CH3:23])[CH3:24])[cH:4][cH:5]1>>[o:1]1[cH:2][c:3]([CH2:6][O:7][c:8]2[cH:9][cH:10][c:11]3[c:12]4[c:13]([c:14]([NH2:37])[n:15][c:16]3[cH:17]2)[n:18][c:19]([CH3:25])[n:20]4[CH2:21][CH:22]([CH3:23])[CH3:24])[cH:4][cH:5]1