HRID1553350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1118

Sulfuric acid

H2O4S

HCID8028

Tetrahydrofuran

C4H8O

HCID30165

Iodide ion

I-

HCID185647

1,1,2-Trifluoroethan-1-ol

C2H3F3O

HCID45790739

2-Methoxy-4-[4-(1-methylethyl)-1-piperazinyl]benzenamine

C14H23N3O

结构：Cc1ccc(S(=O)(=O)n2ccc3c(Nc4cc(F)cc(F)c4C(N)=O)nc(Cl)nc32)cc1

HCID86644196

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(Nc2cc(F)cc(F)c2C(N)=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2n1

HCID67317381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c91c470765f442f5b14ff3ea41374288
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:33][CH:34]([CH3:35])[N:36]1[CH2:37][CH2:38][N:39]([c:42]2[cH:43][c:44]([O:49][CH3:50])[c:45]([NH2:46])[cH:47][cH:48]2)[CH2:40][CH2:41]1.[Cl:1][c:2]1[n:3][c:4]([NH:21][c:22]2[c:23]([C:24](=[O:25])[NH2:26])[c:27]([F:32])[cH:28][c:29]([F:31])[cH:30]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:9][cH:10]2.[F:58][CH2:59][C:60]([F:61])([F:62])[OH:63].[I-:52].[K+:51].[S:53](=[O:54])(=[O:55])([OH:56])[OH:57]>>[c:2]1([NH:46][c:45]2[c:44]([O:49][CH3:50])[cH:43][c:42]([N:39]3[CH2:38][CH2:37][N:36]([CH:34]([CH3:33])[CH3:35])[CH2:41][CH2:40]3)[cH:48][cH:47]2)[n:3][c:4]([NH:21][c:22]2[c:23]([C:24](=[O:25])[NH2:26])[c:27]([F:32])[cH:28][c:29]([F:31])[cH:30]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:9][cH:10]2