HRID1229696

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7622

Tributylamine

C12H27N

HCID30165

Iodide ion

I-

HCID72656

3-Aminopyrazine-2-carboxylic acid

C5H5N3O2

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

结构：NCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

HCID12891741

未命名化合物

PRODUCTS

生成物

结构：Nc1nccnc1C(=O)NCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

HCID13588120

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b0401c4dd264fb39fd016c442f342a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:11]([N:12]([CH2:13][CH2:14][CH2:15][CH3:16])[CH2:17][CH2:18][CH2:19][CH3:20])[CH2:21][CH2:22][CH3:23].[Cl:25][c:26]1[cH:27][cH:28][cH:29][cH:30][n+:31]1[CH3:32].[Cl:60][CH2:61][Cl:62].[I-:24].[NH2:1][c:2]1[c:3]([C:8](=[O:9])[OH:10])[n:4][cH:5][cH:6][n:7]1.[NH2:33][CH2:34][CH2:35][N:36]1[CH2:37][CH2:38][CH:39]([NH:42][c:43]2[n:44][c:45]3[c:46]([n:47]2[CH2:48][c:49]2[cH:50][cH:51][c:52]([F:55])[cH:53][cH:54]2)[cH:56][cH:57][cH:58][cH:59]3)[CH2:40][CH2:41]1>>[NH2:1][c:2]1[c:3]([C:8](=[O:10])[NH:33][CH2:34][CH2:35][N:36]2[CH2:37][CH2:38][CH:39]([NH:42][c:43]3[n:44][c:45]4[c:46]([n:47]3[CH2:48][c:49]3[cH:50][cH:51][c:52]([F:55])[cH:53][cH:54]3)[cH:56][cH:57][cH:58][cH:59]4)[CH2:40][CH2:41]2)[n:4][cH:5][cH:6][n:7]1