HRID1215099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17933613

未命名化合物

结构：CS(=O)(=O)OCCC1OCCc2cc(N=C(c3ccccc3)c3ccccc3)ccc21

HCID178505289

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2cccc3cc(F)ccc23)CCN1CCC1OCCc2cc(N=C(c3ccccc3)c3ccccc3)ccc21

HCID178429885

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4032e895b0984bedb58acc2d6b3ecf58
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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