HRID102739

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID24823

Ozone

结构：C=C(CCl)C(C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)C2N=C(COc3ccccc3)SC21

HCID20464414

未命名化合物

PRODUCTS

生成物

结构：O=C(OC(c1ccccc1)c1ccccc1)C(=C(O)CCl)N1C(=O)C2N=C(COc3ccccc3)SC21

HCID70504488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8d5cc8bc21e4709a75ce1bd1d0b798c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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