HRID90855

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

结构：CCOC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1

HCID10970999

未命名化合物

HCID22709449

6-(1,1-Dimethylethyl) 4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2,6-dicarboxylate

C12H16N2O4S

PRODUCTS

生成物

结构：CCOC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)CNC(C(=O)OC(C)(C)C)C2

HCID22709517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f17f5ff4d8d42c58e7821d7bc4efcb4
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

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