HRID198648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

HCID2740668

4-[3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl]aniline

C11H7F6N3

HCID2779780

3-chloro-1,2-benzisoxazole

C7H4ClNO

HCID3280088

未命名化合物

PRODUCTS

生成物

结构：FC(F)(F)c1cc(C(F)(F)F)n(-c2ccc(Nc3noc4ccccc34)cc2)n1

HCID18677108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3f3fc671ab544aba9156b51d5be2976
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:31][Si:32]([N-:33][Si:34]([CH3:35])([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:21][c:22]1[n:23][o:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2.[NH2:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:17]([F:18])([F:19])[F:20])[cH:11][c:12]2[C:13]([F:14])([F:15])[F:16])[cH:6][cH:7]1.[Na+:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:46]>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:17]([F:18])([F:19])[F:20])[cH:11][c:12]2[C:13]([F:14])([F:15])[F:16])[cH:6][cH:7]1)[c:22]1[n:23][o:24][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2