HRID146791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3717105

Ethanesulfonate

C2H5O3S-

结构：CC(NC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1)c1ccccc1

HCID10119627

未命名化合物

PRODUCTS

生成物

结构：CCC(NC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1)c1ccccc1

HCID10146397

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95894cd8852c40a9abc026cad07aa352
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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