HRID1144304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1084

Thiosulfate(2-)

O3S2-2

HCID5943

Carbon tetrachloride

CCl4

HCID8857

Ethyl acetate

C4H8O2

结构：C=C(C)C1C(C(C)OC(=O)OCc2ccccc2)C(=O)N1C(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1

HCID70452194

未命名化合物

PRODUCTS

生成物

结构：C=C(CCl)C1C(C(C)OC(=O)OCc2ccccc2)C(=O)N1C(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1

HCID178448401

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc9c35f3f177425abf07d2384a448e76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:50]([Cl:51])([Cl:52])([Cl:53])[Cl:54].[CH3:1][C:2](=[CH2:3])[CH:4]1[CH:5]([CH:28]([CH3:29])[O:30][C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[C:6](=[O:27])[N:7]1[CH:8]([CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1)[CH2:18][c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:41].[Na+:48].[Na+:49].[OH2:42].[S:43]([O-:44])([O-:45])(=[O:46])=[S:47]>>[CH2:1]=[C:2]([CH2:3][Cl:51])[CH:4]1[CH:5]([CH:28]([CH3:29])[O:30][C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[C:6](=[O:27])[N:7]1[CH:8]([CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1)[CH2:18][c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1