HRID207310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CNC2)c2cc(C(F)(F)F)ccc21

HCID58548865

未命名化合物

HCID59361585

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(C2(O)CCC(N3CC(NC(=O)CNc4nn(C(=O)NC(C)(C)C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1

HCID54755800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3664b5c3eda043a399673dc9621c8534
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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