HRID945481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

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+

HCID22082824

Ethyl 1-amino-2-ethenylcyclopropane-1-carboxylate

C8H13NO2

结构：COc1ccc2c(OC3CC(C(=O)O)N(C(=O)OC(C)(C)C)C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl

HCID67319343

未命名化合物

PRODUCTS

生成物

结构：C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3nc(C(C)C)cs3)nc3c(Cl)c(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)OCC

HCID67319876

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d716eaa08b3430db540d198a78d4918
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:35](=[O:36])[OH:37])[CH2:10][CH:11]([O:13][c:14]2[cH:15][c:16](-[c:27]3[s:28][cH:29][c:30]([CH:32]([CH3:33])[CH3:34])[n:31]3)[n:17][c:18]3[c:19]([Cl:26])[c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1.[CH2:49]([CH3:50])[O:51][C:52](=[O:53])[C:54]1([NH2:59])[CH:55]([CH:57]=[CH2:58])[CH2:56]1.[CH:60]([N:61]([CH:62]([CH3:63])[CH3:64])[CH2:65][CH3:66])([CH3:67])[CH3:68].[O:93]=[CH:94][N:95]([CH3:96])[CH3:97].[OH2:98].[OH:38][S:39]([c:40]1[cH:41][cH:42][c:43]([CH3:44])[cH:45][cH:46]1)(=[O:47])=[O:48].[P-:69]([F:70])([F:71])([F:72])([F:73])([F:74])[F:75].[n:76]1([O:77][C:78]([N:79]([CH3:80])[CH3:81])=[N+:82]([CH3:83])[CH3:84])[c:85]2[n:86][cH:87][cH:88][cH:89][c:90]2[n:91][n:92]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:35](=[O:36])[NH:59][C:54]2([C:52]([O:51][CH2:49][CH3:50])=[O:53])[CH:55]([CH:57]=[CH2:58])[CH2:56]2)[CH2:10][CH:11]([O:13][c:14]2[cH:15][c:16](-[c:27]3[s:28][cH:29][c:30]([CH:32]([CH3:33])[CH3:34])[n:31]3)[n:17][c:18]3[c:19]([Cl:26])[c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1