HRID1206696

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID23133494

未命名化合物

HCID23155411

1-(6-Bromo-3,4-dihydroisoquinolin-2(1H)-yl)-2,2,2-trifluoroethan-1-one

C11H9BrF3NO

HCID59463166

未命名化合物

PRODUCTS

生成物

结构：CC1(CS(=O)(=O)N2CCc3cc(Br)ccc3C2)NC(=O)NC1=O

HCID178431992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91a3b3eb5a6f4e94be2eaaa1c4dc7134
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:18][c:19]1[cH:20][cH:21][cH:22][c:23]2[c:24]1[CH2:25][N:26]([C:27](=[O:28])[C:29]([F:30])([F:31])[F:32])[CH2:33][CH2:34]2.[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][N:7]([C:12](=[O:13])[C:14]([F:15])([F:16])[F:17])[CH2:6][CH2:5]2.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:46][C:47]1([CH2:54][S:55](=[O:56])(=[O:57])[Cl:58])[NH:48][C:49](=[O:53])[NH:50][C:51]1=[O:52].[CH3:59][CH2:60][OH:61].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[NH4+:35].[OH-:36]>>[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][N:7]([S:55]([CH2:54][C:47]1([CH3:46])[NH:48][C:49](=[O:53])[NH:50][C:51]1=[O:52])(=[O:56])=[O:57])[CH2:6][CH2:5]2