HRID150323

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81326

1-Methylcyclopropanecarboxylic acid

C5H8O2

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cnc(N3CCNCC3)c(Cl)c2)cc1

HCID68536816

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cnc(N3CCN(C(=O)C4(C)CC4)CC3)c(Cl)c2)cc1

HCID68541854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cb8749d737a48b9a891b80f990cdcb2
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

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