HRID1235899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID9886

Hexafluorophosphate ion

F6P-

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

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

HCID59165418

未命名化合物

PRODUCTS

生成物

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

HCID66871418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51f34895df554d3bbe43350dd7b046a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[CH:9]2[C:10](=[O:15])[O:11][CH:12]([CH2:13]1)[CH2:14]2.[CH2:20]([CH3:21])[O:22][C:23](=[O:24])[C:25]1([NH2:30])[CH:26]([CH:28]=[CH2:29])[CH2:27]1.[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[ClH:18].[ClH:19].[Li+:16].[O:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[OH-:17].[OH2:64].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]([CH3:54])[CH3:55])[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[CH:9]([C:10](=[O:15])[NH:30][C:25]2([C:23]([O:22][CH2:20][CH3:21])=[O:24])[CH:26]([CH:28]=[CH2:29])[CH2:27]2)[CH2:14][CH:12]([OH:11])[CH2:13]1