HRID1128516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

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+

HCID72320932

未命名化合物

结构：COCC1CC(c2nc3ccc4cc5c(cc4c3[nH]2)OCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2-5)N(C(=O)OC(C)(C)C)C1

HCID178494460

未命名化合物

PRODUCTS

生成物

结构：COCC1CC(c2nc3ccc4cc5c(cc4c3[nH]2)OCc2cc(B3OC(C)(C)C(C)(C)O3)ccc2-5)N(C(=O)C(NC(=O)OC)C(C)OC)C1

HCID178494459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2baeace984cf4ddeb104280113cfac08
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

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