HRID202825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID2776379

2-Bromo-1-(3-thienyl)-1-ethanone

C6H5BrOS

结构：O=C(OC1CN2CCC1CC2)C(NCc1ccccc1)c1ccccc1

HCID67124852

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：O=C(C[N+]12CCC(CC1)C(OC(=O)C(NCc1ccccc1)c1ccccc1)C2)c1ccsc1

HCID178521170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaf72173ccea44f5b3b63dfa4074a744
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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