HRID306560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1C(C(=O)O)CCC1c1ccccc1

HCID4712505

未命名化合物

结构：CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4N)ncn3)cccc2s1

HCID21865046

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)C4CCC(c5ccccc5)N4C(=O)OC(C)(C)C)ncn3)cccc2s1

HCID72393471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-286afced7237477ab229a24d659165a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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