HRID692881

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID3018531

2-[2-(2-Methoxyethoxy)ethoxy]ethan-1-amine

C7H17NO3

结构：Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)Cl)c3)n2)n1

HCID86615450

未命名化合物

PRODUCTS

生成物

结构：COCCOCCOCCNS(=O)(=O)c1cccc(-c2cccc(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(C)n3)n2)c1

HCID24760084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e7dc5ffed134904b9f39b9914a91e40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][c:2]1[cH:3][c:4](-[c:24]2[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]2)[cH:5][c:6](-[c:8]2[n:9][c:10](-[c:14]3[cH:15][c:16]([S:20](=[O:21])(=[O:22])[Cl:23])[cH:17][cH:18][cH:19]3)[cH:11][cH:12][cH:13]2)[n:7]1.[CH3:34][O:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][CH2:42][CH2:43][NH2:44].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55]>>[CH3:1][c:2]1[cH:3][c:4](-[c:24]2[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]2)[cH:5][c:6](-[c:8]2[n:9][c:10](-[c:14]3[cH:15][c:16]([S:20](=[O:21])(=[O:22])[NH:44][CH2:43][CH2:42][O:41][CH2:40][CH2:39][O:38][CH2:37][CH2:36][O:35][CH3:34])[cH:17][cH:18][cH:19]3)[cH:11][cH:12][cH:13]2)[n:7]1