HRID1142035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID552549

(Trifluoromethyl)trimethylsilane

C4H9F3Si

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OCC=O)CC2)c2ncnn12

HCID86644042

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OCC(O)C(F)(F)F)CC2)c2ncnn12

HCID67009094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9497ff2b6c9449ea7e1495038ef786d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:39][Si:40]([C:41]([F:42])([F:43])[F:44])([CH3:45])[CH3:46].[CH3:48][CH2:49][CH2:50][CH2:51][N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64].[ClH:65].[F-:47].[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][CH:32]([O:35][CH2:36][CH:37]=[O:38])[CH2:33][CH2:34]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2.[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1>>[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][CH:32]([O:35][CH2:36][CH:37]([OH:38])[C:41]([F:42])([F:43])[F:44])[CH2:33][CH2:34]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2