HRID305625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID4641409

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

C10H15N6O+

结构：C=CC1CC1(NC(=O)C1CC(O)CC1C(=O)OC(C)(C)C)C(=O)OCC

HCID66871418

未命名化合物

结构：CNC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C1CCCCC1

HCID68489029

未命名化合物

结构：CCCC(NC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CC1C(=O)OC)C(=O)OC(C)(C)C

HCID178449362

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CC1C(=O)NC(C(=O)NC(C(=O)NC)C1CCCCC1)C(C)(C)C)C(=O)OC(C)(C)C

HCID178449359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5c16a5b47d644f496937c5861e7730d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:46]([O:47][C:48](=[O:49])[NH:52][CH:53]([C:54]([CH3:55])([CH3:56])[CH3:57])[C:58]([NH:59][CH:60]([C:61]([NH:62][CH3:63])=[O:64])[CH:65]1[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1)=[O:71])([CH3:50])([CH3:51])[CH3:72].[C:97]([O:98][C:99]([CH:100]1[CH2:101][CH:102]([OH:103])[CH2:104][CH:105]1[C:106](=[O:107])[NH:108][C:109]1([C:110]([O:111][CH2:112][CH3:113])=[O:114])[CH2:115][CH:116]1[CH:117]=[CH2:118])=[O:119])([CH3:120])([CH3:121])[CH3:122].[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH:6]([C:29]([NH:30][CH:31]([CH2:32][CH2:33][CH3:34])[C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[CH2:7][CH:8]([O:10][c:11]2[cH:12][c:13](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[n:14][c:15]3[cH:16][c:17]([O:21][CH3:22])[cH:18][cH:19][c:20]23)[CH2:9]1.[ClH:45].[Li+:44].[O:124]1[CH2:125][CH2:126][O:127][CH2:128][CH2:129]1.[O:130]=[CH:131][N:132]([CH3:133])[CH3:134].[OH-:43].[OH2:123].[P-:73]([F:74])([F:75])([F:76])([F:77])([F:78])[F:79].[n:80]1([O:81][C:82]([N:83]([CH3:84])[CH3:85])=[N+:86]([CH3:87])[CH3:88])[c:89]2[n:90][cH:91][cH:92][cH:93][c:94]2[n:95][n:96]1>>[C:3](=[O:4])([CH:5]1[CH:6]([C:29]([NH:30][CH:31]([CH2:32][CH2:33][CH3:34])[C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[CH2:7][CH:8]([O:10][c:11]2[cH:12][c:13](-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[n:14][c:15]3[cH:16][c:17]([O:21][CH3:22])[cH:18][cH:19][c:20]23)[CH2:9]1)[NH:52][CH:53]([C:54]([CH3:55])([CH3:56])[CH3:57])[C:58]([NH:59][CH:60]([C:61]([NH:62][CH3:63])=[O:64])[CH:65]1[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1)=[O:71]