HRID2126856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Oc2ccccc2)c(C)c1

HCID66876334

未命名化合物

HCID66876764

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)cc4C)c3)c2cc1OC

HCID58267870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f508872d44cb43febce10f7d5af3aa59
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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