HRID165224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9086

3-Aminopropanol

C3H9NO

HCID2776064

Benzyl 3-bromopropyl ether

C10H13BrO

结构：O=S(=O)(C1=CCOc2c(F)ccc(F)c21)c1ccc(Cl)cc1

HCID58252242

4-(4-Chlorobenzene-1-sulfonyl)-5,8-difluoro-2H-1-benzopyran

C15H9ClF2O3S

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(Cl)cc1)C1c2c(F)ccc(F)c2OCC1N(CCCO)CCCOCc1ccccc1

HCID67006086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd70a33483c744f8af19893b4d8cebcd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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