HRID2347647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID24823

Ozone

结构：C=C(C)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccccc2o1

HCID53800147

未命名化合物

PRODUCTS

生成物

结构：CC(O)=C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccccc2o1

HCID173435680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a57787d55d8a45188e75bc1df119796e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:51]([O:52][CH2:54][CH3:55])(=[O:53])[CH3:56].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[O-:1][O+:2]=[O:3].[c:4]1([CH:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[O:17][C:18]([CH:19]([C:20]([CH3:21])=[CH2:22])[N:23]2[C:24](=[O:49])[CH:25]([NH:38][C:39]([CH2:40][O:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)=[O:48])[CH:26]2[S:27][S:28][c:29]2[o:30][c:31]3[c:32]([n:33]2)[cH:34][cH:35][cH:36][cH:37]3)=[O:50])[cH:5][cH:6][cH:7][cH:8][cH:9]1.[c:57]1([CH3:58])[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[c:4]1([CH:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[O:17][C:18]([C:19](=[C:20]([CH3:21])[OH:53])[N:23]2[C:24](=[O:49])[CH:25]([NH:38][C:39]([CH2:40][O:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)=[O:48])[CH:26]2[S:27][S:28][c:29]2[o:30][c:31]3[c:32]([n:33]2)[cH:34][cH:35][cH:36][cH:37]3)=[O:50])[cH:5][cH:6][cH:7][cH:8][cH:9]1