HRID289770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CCCNC(=O)c1ccc(C)c(-c2nc(SC)nc3c2CNC(=O)N3c2c(F)cccc2F)c1

HCID11950263

未命名化合物

PRODUCTS

生成物

结构：CCCNC(=O)c1ccc(C)c(-c2nc(S(C)=O)nc3c2CNC(=O)N3c2c(F)cccc2F)c1

HCID11950264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a2bc7cec1eb4411a2cd9449024cf59b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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