HRID96612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24648

Sulfuryl chloride

Cl2O2S

HCID178730

2-Chlorooxolane

C4H7ClO

结构：FC(F)C(F)(F)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

HCID13508075

未命名化合物

PRODUCTS

生成物

结构：FC(F)C(F)(F)Sc1nc(-c2ccccc2)c(-c2ccccc2)n1C1CCCO1

HCID20378258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67fa89b004f94bb5a1f1b2334cae06ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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