HRID201365

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID123062

1-(Bromomethyl)-4-(trifluoromethyl)benzene

C8H6BrF3

HCID3280088

未命名化合物

结构：Cc1nc(N2CCCC2=O)sc1C(=O)NCc1ccc(F)cc1

HCID16954475

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(N2CCC(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)NCc1ccc(F)cc1

HCID24801505

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0f26445aaae4ecaa67bf955efd3c11b
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:34][CH2:35][c:36]1[cH:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]1.[CH3:24][Si:25]([N-:26][Si:27]([CH3:28])([CH3:29])[CH3:30])([CH3:31])[CH3:32].[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][N:53]([CH3:54])[C:55]1=[O:56].[Cl-:46].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11]([CH3:21])[n:12][c:13]([N:15]3[C:16](=[O:20])[CH2:17][CH2:18][CH2:19]3)[s:14]2)[cH:22][cH:23]1.[Li+:33].[NH4+:47].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11]([CH3:21])[n:12][c:13]([N:15]3[C:16](=[O:20])[CH:17]([CH2:35][c:36]4[cH:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]4)[CH2:18][CH2:19]3)[s:14]2)[cH:22][cH:23]1