HRID1139347

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)OCC(Cl)(Cl)Cl)cc1

HCID9931094

2,2,2-Trichloroethyl [3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamate

C17H20Cl3N3O2

结构：COC(Cn1ncc2cc(Oc3ccc(F)cc3CN)ccc21)OC

HCID57552285

2-[[1-(2,2-Dimethoxyethyl)-1H-indazol-5-yl]oxy]-5-fluorobenzenemethanamine

C18H20FN3O3

PRODUCTS

生成物

结构：COC(Cn1ncc2cc(Oc3ccc(F)cc3CNC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)ccc21)OC

HCID57552296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c1f990ae41047068509c50b5b507dc7
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:26]([CH3:27])([CH3:28])([CH3:29])[c:30]1[n:31][n:32](-[c:44]2[cH:45][cH:46][c:47]([CH3:50])[cH:48][cH:49]2)[c:33]([NH:35][C:36]([O:37][CH2:39][C:40]([Cl:41])([Cl:42])[Cl:43])=[O:38])[cH:34]1.[CH3:1][O:2][CH:3]([CH2:4][n:5]1[n:6][cH:7][c:8]2[cH:9][c:10]([O:14][c:15]3[c:16]([CH2:22][NH2:23])[cH:17][c:18]([F:21])[cH:19][cH:20]3)[cH:11][cH:12][c:13]12)[O:24][CH3:25].[CH3:60][N:61]([CH3:62])[C:63](=[O:64])[CH3:65].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59]>>[CH3:1][O:2][CH:3]([CH2:4][n:5]1[n:6][cH:7][c:8]2[cH:9][c:10]([O:14][c:15]3[c:16]([CH2:22][NH:23][C:36]([NH:35][c:33]4[n:32](-[c:44]5[cH:45][cH:46][c:47]([CH3:50])[cH:48][cH:49]5)[n:31][c:30]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:34]4)=[O:37])[cH:17][c:18]([F:21])[cH:19][cH:20]3)[cH:11][cH:12][c:13]12)[O:24][CH3:25]