HRID86749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID277

Carbamic acid

CH3NO2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)c1cc(NC(=O)Oc2ccccc2)n(-c2ccccc2)n1

HCID46196894

Phenyl N-[3-(1,1-dimethylethyl)-1-phenyl-1H-pyrazol-5-yl]carbamate

C20H21N3O2

HCID66876764

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccccc4)c3)c2cc1OC

HCID58267869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-923596f3c77546019115bda4a8521a39
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:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:8]([NH:10][C:11]([O:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:19])[cH:9]1.[C:26](=[O:27])([OH:28])[NH2:29].[CH3:30][O:31][c:32]1[cH:33][c:34]2[c:35]([S:47][c:48]3[cH:49][c:50]([NH2:51])[cH:52][cH:53][cH:54]3)[n:36][cH:37][n:38][c:39]2[cH:40][c:41]1[O:42][CH2:43][CH2:44][O:45][CH3:46].[CH3:64][N:65]([c:66]1[cH:67][cH:68][n:69][cH:70][cH:71]1)[CH3:72].[CH:55]([N:56]([CH:57]([CH3:58])[CH3:59])[CH2:60][CH3:61])([CH3:62])[CH3:63]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:8]([NH:10][C:11](=[O:19])[NH:51][c:50]2[cH:49][c:48]([S:47][c:35]3[c:34]4[cH:33][c:32]([O:31][CH3:30])[c:41]([O:42][CH2:43][CH2:44][O:45][CH3:46])[cH:40][c:39]4[n:38][cH:37][n:36]3)[cH:54][cH:53][cH:52]2)[cH:9]1