HRID96231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID16028

Tetrabutylammonium

C16H36N+

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID12378900

3-Methyl-3,8-diazabicyclo[3.2.1]octane

C7H14N2

结构：CCOC(=O)c1coc(C2=Cc3cc(OC)ccc3-c3c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)N(C)C)cc4n3C2)n1

HCID59133915

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)C=C(c1nc(C(=O)N3C4CCC3CN(C)C4)co1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21

HCID59133951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-474fd88de0eb4735812e863bf0c3b64a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B-:64]([F:65])([F:66])([F:67])[F:68].[CH2:47]([N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH3:63].[CH2:97]1[O:98][CH2:99][CH2:100][CH2:101]1.[CH3:102][OH:103].[CH3:109][N:110]([c:111]1[cH:112][cH:113][n:114][cH:115][cH:116]1)[CH3:117].[CH3:88][N:89]1[CH2:90][CH:91]2[CH2:92][CH2:93][CH:94]([CH2:95]1)[NH:96]2.[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:37]([NH:38][S:39](=[O:40])(=[O:41])[N:42]([CH3:43])[CH3:44])=[O:45])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[CH:18]=[C:19]([c:21]2[o:22][cH:23][c:24]([C:26](=[O:27])[O:28][CH2:29][CH3:30])[n:25]2)[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:86].[ClH:87].[O:104]=[CH:105][N:106]([CH3:107])[CH3:108].[OH-:46].[OH2:118].[n:69]1([O:70][C:71]([N:72]([CH3:73])[CH3:74])=[N+:75]([CH3:76])[CH3:77])[c:78]2[cH:79][cH:80][cH:81][cH:82][c:83]2[n:84][n:85]1>>[CH:1]1([c:7]2[c:8]3[cH:9][cH:10][c:11]([C:37]([NH:38][S:39](=[O:40])(=[O:41])[N:42]([CH3:43])[CH3:44])=[O:45])[cH:12][c:13]3[n:14]3[c:15]2-[c:16]2[c:17]([cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[CH:18]=[C:19]([c:21]2[o:22][cH:23][c:24]([C:26](=[O:27])[N:96]4[CH:91]5[CH2:90][N:89]([CH3:88])[CH2:95][CH:94]4[CH2:93][CH2:92]5)[n:25]2)[CH2:20]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1