HRID306063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID91308

Piperazineethanol

C6H14N2O

HCID58625886

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(s1)Nc1cc(F)ccc1N=C2N1CCNC(CCO)C1

HCID69215018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7ec2a2b52094c0d85762c1155f80a14
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

[CH3:37][S:38](=[O:39])[CH3:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH:28]([N:29]([CH:30]([CH3:31])[CH3:32])[CH2:33][CH3:34])([CH3:35])[CH3:36].[ClH:1].[F:2][c:3]1[cH:4][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:19]1[CH:20]([CH2:25][CH2:26][OH:27])[CH2:21][NH:22][CH2:23][CH2:24]1>>[F:2][c:3]1[cH:4][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[CH2:21][CH:20]([CH2:25][CH2:26][OH:27])[NH:19][CH2:24][CH2:23]1)=[N:15]2