HRID1220799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID808715

1-(pyridin-4-ylmethyl)piperazine

C10H15N3

结构：Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(C(=O)O)cc1

HCID59420892

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1

HCID59420891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95379f02d4d84b8093612029ccb4b492
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

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