HRID1570081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID271

Calcium ion

Ca+2

HCID297

Methane

CH4

HCID312

Chloride

Cl-

2 次

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID23925

Iron

HCID23938

Palladium

HCID2736299

1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride

C6H7ClN2O

结构：O=C(Nc1nc2ccc(Oc3cccc([N+](=O)[O-])c3)cc2s1)C1CC1

HCID57749256

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3)c2)n(C)n1

HCID25128181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11bbef56be9843ae8b254a13fe88492f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:45].[CH3:29][CH2:30][OH:31].[CH3:32][n:33]1[n:34][c:35]([CH3:41])[cH:36][c:37]1[C:38](=[O:39])[Cl:40].[CH3:42][OH:43].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Ca+2:28].[Cl-:26].[Cl-:27].[Fe:47].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]([O:7][c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]([NH:15][C:16](=[O:17])[CH:18]4[CH2:19][CH2:20]4)[s:14]3)[cH:21][cH:22]2)[cH:23][cH:24][cH:25]1.[OH2:44].[Pd:46]>>[NH:1]([c:4]1[cH:5][c:6]([O:7][c:8]2[cH:9][c:10]3[c:11]([n:12][c:13]([NH:15][C:16](=[O:17])[CH:18]4[CH2:19][CH2:20]4)[s:14]3)[cH:21][cH:22]2)[cH:23][cH:24][cH:25]1)[C:38]([c:37]1[n:33]([CH3:32])[n:34][c:35]([CH3:41])[cH:36]1)=[O:39]