HRID1141680

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID66871268

未命名化合物

结构：C=CCCCN(CC(C(=O)O)C(=O)OC(C)(C)C)C1CC1

HCID68798754

未命名化合物

PRODUCTS

生成物

结构：C=CCCCN(CC(C(=O)OC(C)(C)C)C(=O)N1CC(O)CC1C(=O)NC1(C(=O)OCC)CC1C=C)C1CC1

HCID178446374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1786882dd8b24b3d96b2f2ae8af997fa
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

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