HRID314132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID91308

Piperazineethanol

C6H14N2O

HCID58626016

未命名化合物

HCID136090391

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(s1)Nc1cc(F)c(F)cc1N=C2N1CCNC(CCO)C1

HCID136384218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d249dcaced14d5f9ec1abbcb17e04bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:38]([O:39][C:40]([c:41]1[s:42][c:43]2[c:54]([n:55]1)[C:52](=[S:53])[NH:51][c:50]1[c:45]([cH:46][cH:47][cH:48][cH:49]1)[NH:44]2)=[O:56])[CH3:57].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[ClH:1].[F:2][c:3]1[c:4]([F:19])[cH:5][c:6]2[c:7]([cH:18]1)[NH:8][c:9]1[s:10][c:11]([CH3:17])[cH:12][c:13]1[C:14]([NH2:16])=[N:15]2.[NH:29]1[CH:30]([CH2:35][CH2:36][OH:37])[CH2:31][NH:32][CH2:33][CH2:34]1.[OH2:58]>>[F:2][c:3]1[c:4]([F:19])[cH:5][c:6]2[c:7]([cH:18]1)[NH:8][c:9]1[s:10][c:11]([CH3:17])[cH:12][c:13]1[C:14]([N:16]1[CH2:31][CH:30]([CH2:35][CH2:36][OH:37])[NH:29][CH2:34][CH2:33]1)=[N:15]2