HRID95363

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID223

Ammonia ion (NH4+)

H4N+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8058

n-Hexane

C6H14

2 次

HCID8857

Ethyl acetate

C4H8O2

2 次

结构：CC(=O)SCC(C(=O)NC(CC(=O)O)Cc1ccccc1)C(F)(F)F

HCID19938440

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CC(Cc1ccccc1)NC(=O)C(CS)C(F)(F)F

HCID19938465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbfe8476dcd44162bc7b7a26605a65a9
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

[C:1](=[O:2])([CH3:3])[S:4][CH2:5][CH:6]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][C:12](=[O:13])[OH:14])[CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[C:22]([F:23])([F:24])[F:25].[C:28]([O:29][CH2:30][CH3:31])(=[O:32])[CH3:33].[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:46][OH:47].[CH3:48][C:49](=[O:50])[OH:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[NH4+:27].[OH-:26]>>[SH:4][CH2:5][CH:6]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][C:12](=[O:13])[OH:14])[CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[C:22]([F:23])([F:24])[F:25]