HRID680344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(Br)C(=O)Nc1nc2c(C(F)(F)F)cc3c(cnn3C(=O)C(C)(C)Br)c2s1

HCID57951287

未命名化合物

PRODUCTS

生成物

结构：CC(C)(Br)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1

HCID57951376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b995949d8ccc4a5cada4e521f3d9fab3
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

[Br:1][C:2]([C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[c:9]([n:10]1)[c:11]([C:24]([F:25])([F:26])[F:27])[cH:12][c:13]1[c:14]2[cH:15][n:16][n:17]1[C:18](=[O:19])[C:20]([Br:21])([CH3:22])[CH3:23])([CH3:28])[CH3:29].[CH2:35]([OH:36])[CH2:37][OH:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[OH2:52]>>[Br:1][C:2]([C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[c:9]([n:10]1)[c:11]([C:24]([F:25])([F:26])[F:27])[cH:12][c:13]1[c:14]2[cH:15][n:16][nH:17]1)([CH3:28])[CH3:29]