HRID154367

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

HCID9993

1-Bromo-4-fluorobenzene

C6H4BrF

结构：O=C1CCCCC1N1CCC2(CC1)C(=O)NCC2c1ccccc1

HCID21082565

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：O=C1NCC(c2ccccc2)C12CCN(C1CCCCC1(O)c1ccc(F)cc1)CC2

HCID11212373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82e2e9a5d972406b8a230f483d46e5be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([F:8])[cH:6][cH:7]1.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:9][CH2:10][CH2:11][CH2:12][Li:13].[Cl-:38].[NH4+:39].[O:14]=[C:15]1[CH:16]([N:21]2[CH2:22][CH2:23][C:24]3([CH:25]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:26][NH:27][C:28]3=[O:29])[CH2:36][CH2:37]2)[CH2:17][CH2:18][CH2:19][CH2:20]1>>[c:2]1([C:15]2([OH:14])[CH:16]([N:21]3[CH2:22][CH2:23][C:24]4([CH:25]([c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[CH2:26][NH:27][C:28]4=[O:29])[CH2:36][CH2:37]3)[CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:3][cH:4][c:5]([F:8])[cH:6][cH:7]1