HRID1543636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID69828

Cyclopropanamine

C3H7N

HCID2724942

未命名化合物

结构：Cc1ccc(C=O)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1

HCID57662899

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CNC2CC2)cc1NC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1

HCID57662975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-721edeb48fce42e58cc613c6c0a61fbf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[CH3:62][C:63](=[O:64])[OH:65].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([CH3:35])[c:7]([NH:9][C:10]([c:11]2[cH:12][cH:13][c:14]([NH:17][c:18]3[n:19][c:20]4[cH:21][cH:22][cH:23][cH:24][c:25]4[c:26](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:27]3)[cH:15][cH:16]2)=[O:34])[cH:8]1.[CH:36]1([NH2:39])[CH2:37][CH2:38]1.[Cl:59][CH2:60][Cl:61].[Na+:58].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([CH3:35])[c:7]([NH:9][C:10]([c:11]2[cH:12][cH:13][c:14]([NH:17][c:18]3[n:19][c:20]4[cH:21][cH:22][cH:23][cH:24][c:25]4[c:26](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:27]3)[cH:15][cH:16]2)=[O:34])[cH:8]1)[NH:39][CH:36]1[CH2:37][CH2:38]1