HRID1570150

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID6342

Acetonitrile

C2H3N

HCID12871169

未命名化合物

反应SMILES：O=C(OC1CN2CCC1CC2)C(Nc1ccccc1)c1ccccc1

HCID59401215

未命名化合物

PRODUCTS

产物

HCID259

Bromide

Br-

反应SMILES：Cc1nc(C(=O)C[N+]23CCC(CC2)C(OC(=O)C(Nc2ccccc2)c2ccccc2)C3)cs1

HCID178432979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d4b5b5e5638941639759ca3f1f3dcb24
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

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