HRID184678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1

HCID66678166

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1

HCID10174255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01234dfe7667419c897c9d399cf8da01
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

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