HRID2130938

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+

HCID518896

3,5-Difluorobenzyl bromide

C7H5BrF2

HCID3280088

未命名化合物

HCID58083338

未命名化合物

PRODUCTS

生成物

结构：COCCCc1ccccc1-c1ccc(C(C#N)Cc2cc(F)cc(F)c2)c(C)c1

HCID67448715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d671faafca94b06bd97bb1485156ad2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:1][O:2][CH2:3][CH2:4][CH2:5][c:6]1[c:7](-[c:12]2[cH:13][c:14]([CH3:21])[c:15]([CH2:18][C:19]#[N:20])[cH:16][cH:17]2)[cH:8][cH:9][cH:10][cH:11]1.[CH3:22][Si:23]([CH3:24])([CH3:25])[N-:26][Si:27]([CH3:28])([CH3:29])[CH3:30].[Cl-:47].[F:32][c:33]1[cH:34][c:35]([CH2:36][Br:37])[cH:38][c:39]([F:41])[cH:40]1.[Li+:31].[NH4+:48]>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][c:6]1[c:7](-[c:12]2[cH:13][c:14]([CH3:21])[c:15]([CH:18]([C:19]#[N:20])[CH2:36][c:35]3[cH:34][c:33]([F:32])[cH:40][c:39]([F:41])[cH:38]3)[cH:16][cH:17]2)[cH:8][cH:9][cH:10][cH:11]1