HRID126411

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

HCID21865176

1-(6-Amino-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one

C12H16N2O

HCID59021478

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)cc21

HCID12004101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d9a07023d0e464b8a16780118fd93a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:37](=[O:38])([OH:39])[O-:40].[CH3:34][C:35]#[N:36].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[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)[N:26]([C:29]([CH3:30])=[O:31])[CH2:25][C:24]2([CH3:32])[CH3:33].[Na+:41]>>[c:2]1([NH:19][c:20]2[cH:21][cH:22][c:23]3[c:27]([cH:28]2)[N:26]([C:29]([CH3:30])=[O:31])[CH2:25][C:24]3([CH3:32])[CH3:33])[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