HRID154914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID81531

Diisopropylethylamine

C8H19N

HCID4519264

phenyl 5-methylisoxazol-3-ylcarbamate

C11H10N2O3

HCID22936506

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)cc3)c2cc1C#N

HCID22936843

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27e5ab55f3404d6dae2c598e4860e218
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:26][c:27]1[cH:28][c:29]([NH:32][C:33]([O:34][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)=[O:35])[n:30][o:31]1.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[cH:12][c:13]([O:19][CH2:20][CH2:21][O:22][CH3:23])[c:14]([C:17]#[N:18])[cH:15][c:16]23)[cH:24][cH:25]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[cH:12][c:13]([O:19][CH2:20][CH2:21][O:22][CH3:23])[c:14]([C:17]#[N:18])[cH:15][c:16]23)[cH:24][cH:25]1)[C:33]([NH:32][c:29]1[cH:28][c:27]([CH3:26])[o:31][n:30]1)=[O:34]