HRID1135256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：C[Si](C)(C)N(C(=O)C(F)(F)F)[Si](C)(C)C

HCID65279

Acetamide, 2,2,2-trifluoro-N,N-bis(trimethylsilyl)-

C8H18F3NOSi2

HCID68284

Benzoyl isothiocyanate

C8H5NOS

HCID66847662

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(=S)NC1(c2cc(Br)ccc2F)COCC1CO)c1ccccc1

HCID76656268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7e8181ae840437b9e7c6dc14aea3bb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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