HRID124461

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

HCID8028

Tetrahydrofuran

C4H8O

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

HCID67235172

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OC(C)(C)c3ccnc(N)c3)c3ccccc23)cc1

HCID58532533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d00c1f7ea064d94878def4bb089bbf5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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.[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[CH3:70][CH2:71][O:72][C:73]([CH3:74])=[O:75].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[Cl:23][C:24]([O:25][C:26]([Cl:27])=[O:28])([Cl:29])[Cl:30].[Cl:62][CH2:63][Cl:64].[NH2:31][c:32]1[cH:33][cH:34][c:35]([O:42][C:43]([CH3:44])([CH3:45])[c:46]2[cH:47][c:48]([NH2:52])[n:49][cH:50][cH:51]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]12.[Na+:22].[O-:18][C:19](=[O:20])[OH:21].[OH2:76]>>[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:21])[NH:31][c:32]2[cH:33][cH:34][c:35]([O:42][C:43]([CH3:44])([CH3:45])[c:46]3[cH:47][c:48]([NH2:52])[n:49][cH:50][cH:51]3)[c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]23)[cH:9]1