HRID1147005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID12378900

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

C7H14N2

结构：COc1ccc2c(c1)C=C(c1c(C(=O)O)c(C(C)C)nn1C1CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21

HCID57953737

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)C=C(c1c(C(=O)N3C4CCC3CN(C)C4)c(C(C)C)nn1C1CC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21

HCID57953796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ba11ad29dff47f584f5763f0afaf091
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

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