HRID2142341

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

HCID8471

Triethylamine

C6H15N

HCID5204802

4-Fluorophenethyl isocyanate

C9H8FNO

HCID67273433

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1ccc(-c2cccc(N(C)C(=O)NCCc3ccc(F)cc3)c2)cc1

HCID67272001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be3316d2360f4c3f82ca4f2efc9c01b2
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

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