HRID2312599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID100614

1-((Pyrrolidine-1-carbonyl)methyl)piperazine

C10H19N3O

HCID2724942

未命名化合物

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(C=O)cc2C#N)cc1

HCID86624985

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ncc(CN3CCN(CC(=O)N4CCCC4)CC3)cc2C#N)cc1

HCID86624984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5792b4d3eac2442a93fa1bf0b5db5d35
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20](-[c:23]3[n:24][cH:25][c:26]([CH:31]=[O:32])[cH:27][c:28]3[C:29]#[N:30])[cH:21][cH:22]2)=[O:33])[cH:11][cH:12][cH:13][cH:14]1.[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[Cl:62][CH2:63][Cl:64].[N:34]1([C:39](=[O:40])[CH2:41][N:42]2[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]2)[CH2:35][CH2:36][CH2:37][CH2:38]1.[Na+:61]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20](-[c:23]3[n:24][cH:25][c:26]([CH2:31][N:45]4[CH2:44][CH2:43][N:42]([CH2:41][C:39]([N:34]5[CH2:35][CH2:36][CH2:37][CH2:38]5)=[O:40])[CH2:47][CH2:46]4)[cH:27][c:28]3[C:29]#[N:30])[cH:21][cH:22]2)=[O:33])[cH:11][cH:12][cH:13][cH:14]1