HRID834277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

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+

HCID57814205

未命名化合物

结构：CCCCSC1(c2ccc(-c3ccccc3)cc2)CC(C(=O)O)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1

HCID178454930

未命名化合物

PRODUCTS

生成物

结构：CCCCSC1(c2ccc(-c3ccccc3)cc2)CC(C(=O)NC2(C(=O)NS(=O)(=O)C3CC3)CC2C(F)F)N(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1

HCID178454928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1886163f92044b78410e9fdff3f1eaf
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:96][OH:97].[CH:82]([N:83]([CH2:84][CH3:85])[CH:86]([CH3:87])[CH3:88])([CH3:89])[CH3:90].[ClH:57].[NH2:41][C:42]1([C:48](=[O:49])[NH:50][S:51](=[O:52])(=[O:53])[CH:54]2[CH2:55][CH2:56]2)[CH:43]([CH:45]([F:46])[F:47])[CH2:44]1.[O:91]=[CH:92][N:93]([CH3:94])[CH3:95].[P-:58]([F:59])([F:60])([F:61])([F:62])([F:63])[F:64].[c:1]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][c:4]([C:7]2([S:30][CH2:31][CH2:32][CH2:33][CH3:34])[CH2:8][CH:9]([C:27](=[O:28])[OH:29])[N:10]([C:12]([CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:11]2)[cH:5][cH:6]1.[n:65]1([O:66][C:67]([N:68]([CH3:69])[CH3:70])=[N+:71]([CH3:72])[CH3:73])[c:74]2[n:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[c:1]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][c:4]([C:7]2([S:30][CH2:31][CH2:32][CH2:33][CH3:34])[CH2:8][CH:9]([C:27](=[O:28])[NH:41][C:42]3([C:48](=[O:49])[NH:50][S:51](=[O:52])(=[O:53])[CH:54]4[CH2:55][CH2:56]4)[CH:43]([CH:45]([F:46])[F:47])[CH2:44]3)[N:10]([C:12]([CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:11]2)[cH:5][cH:6]1