HRID1119466

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID10426

Carbonochloridic acid, trichloromethyl ester

C2Cl4O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2974132

3-tert-Butyl-1-(4-methylphenyl)-1H-pyrazol-5-amine

C14H19N3

结构：CC(C)(C)OC(=O)Nc1cc(CC(C)(C)Oc2ccc(N)c3ccccc23)ccn1

HCID67359542

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OC(C)(C)Cc3ccnc(NC(=O)OC(C)(C)C)c3)c3ccccc23)cc1

HCID58416777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39c982d2f2444d10894ce13fd5a4dd0c
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])[c:5]1[n:6][n:7](-[c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[c:8]([NH2:10])[cH:9]1.[CH3:73][CH2:74][O:75][C:76]([CH3:77])=[O:78].[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[Cl:23][C:24]([O:25][C:26]([Cl:27])=[O:28])([Cl:29])[Cl:30].[Cl:70][CH2:71][Cl:72].[NH2:31][c:32]1[cH:33][cH:34][c:35]([O:42][C:43]([CH2:44][c:45]2[cH:46][c:47]([NH:51][C:52]([O:53][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58])[n:48][cH:49][cH:50]2)([CH3:59])[CH3:60])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]12.[Na+:22].[O-:18][C:19]([OH:20])=[O:21].[OH2:79]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[c:8]([NH:10][C:19](=[O:18])[NH:31][c:32]2[cH:33][cH:34][c:35]([O:42][C:43]([CH2:44][c:45]3[cH:46][c:47]([NH:51][C:52]([O:53][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58])[n:48][cH:49][cH:50]3)([CH3:59])[CH3:60])[c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]23)[cH:9]1