HRID1125134

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID13589229

6-Amino-3,3-dimethyl-1,3-dihydro-2H-indol-2-one

C10H12N2O

HCID59021478

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(=O)Nc2cc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)ccc21

HCID12004100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17a9a4ef739e4b979862121731dd8ba7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:32][C:33]#[N:34].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][N:9]([c:12]1[n:13][cH:14][cH:15][cH:16][c:17]1[Cl:18])[CH2:10][CH2:11]2.[NH2:19][c:20]1[cH:21][cH:22][c:23]2[c:27]([cH:28]1)[NH:26][C:25](=[O:29])[C:24]2([CH3:30])[CH3:31].[Na+:39].[O-:35][C:36]([OH:37])=[O:38]>>[c:2]1([NH:19][c:20]2[cH:21][cH:22][c:23]3[c:27]([cH:28]2)[NH:26][C:25](=[O:29])[C:24]3([CH3:30])[CH3:31])[c:3]2[c:4]([n:5][cH:6][n:7]1)[CH2:8][N:9]([c:12]1[n:13][cH:14][cH:15][cH:16][c:17]1[Cl:18])[CH2:10][CH2:11]2