HRID2317625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6212

Chloroform

CHCl3

HCID8857

Ethyl acetate

C4H8O2

结构：CCCCC(NC(=O)OC(COc1ccc(-n2ccnc2)cc1)C(C)(C)C)C(O)CNS(=O)(=O)c1ccccn1

HCID178446807

未命名化合物

2 次

PRODUCTS

生成物

HCID178446806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b785aa2801d4410988808830b9e45b7
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:88](=[O:89])([OH:90])[O-:91].[CH3:97][CH2:98][O:99][C:100](=[O:101])[CH3:102].[CH:93]([Cl:94])([Cl:95])[Cl:96].[Na+:86].[Na+:87].[Na+:92].[OH:1][CH:2]([CH2:3][NH:4][S:5](=[O:6])(=[O:7])[c:8]1[n:9][cH:10][cH:11][cH:12][cH:13]1)[CH:14]([CH2:15][CH2:16][CH2:17][CH3:18])[NH:19][C:20]([O:21][CH:22]([C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:27][O:28][c:29]1[cH:30][cH:31][c:32](-[n:35]2[cH:36][n:37][cH:38][cH:39]2)[cH:33][cH:34]1)=[O:40].[OH:41][CH:42]([CH:43]([NH:44][C:45](=[O:46])[O:47][CH:48]([CH2:49][O:50][c:51]1[cH:52][cH:53][c:54](-[n:55]2[cH:56][cH:57][n:58][cH:59]2)[cH:60][cH:61]1)[C:62]([CH3:63])([CH3:64])[CH3:65])[CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][NH:71][S:72]([c:73]1[cH:74][cH:75][cH:76][cH:77][n:78]1)(=[O:79])=[O:80].[S:81]([O-:82])([O-:83])(=[O:84])=[S:85]>>[O:1]=[C:2]([CH2:3][NH:4][S:5](=[O:6])(=[O:7])[c:8]1[n:9][cH:10][cH:11][cH:12][cH:13]1)[CH:14]([CH2:15][CH2:16][CH2:17][CH3:18])[NH:19][C:20]([O:21][CH:22]([C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:27][O:28][c:29]1[cH:30][cH:31][c:32](-[n:35]2[cH:36][n:37][cH:38][cH:39]2)[cH:33][cH:34]1)=[O:40]