HRID2133423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID114942

Titanium(4+)

Ti+4

HCID119440

1-Hydroxyethyl radical

C2H5O-

4 次

HCID3382465

未命名化合物

反应SMILES：O=C1c2cc(Br)ccc2CC12CCC(C(F)F)CC2

HCID67979478

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)S(=O)N=C1c2cc(Br)ccc2CC12CCC(C(F)F)CC2

HCID67979575

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a1861cfcb2eb406dabe9d81799a84c6b
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

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