HRID2314161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID24813

Phosphoric trichloride

Cl3OP

HCID125216

(2-Amino-1,3-thiazol-4-yl)(methoxyimino)acetic acid

C6H7N3O3S

HCID357676

Acetamide, 2-(trimethylsilyl)-

C5H13NOSi

结构：CC(=O)OC=C1CSC2C(N)C(=O)N2C1C(=O)OCc1ccc([N+](=O)[O-])cc1

HCID178475907

未命名化合物

PRODUCTS

生成物

结构：CON=C(C(=O)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)C(=COC(C)=O)CSC12)c1csc(N)n1

HCID178502754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1a50bb45cf0497f9700276ac83dbc4e
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:55](=[O:56])([OH:57])[O-:58].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[CH3:6][Si:7]([CH2:8][C:9]([NH2:10])=[O:11])([CH3:12])[CH3:13].[CH3:72][N:73]([CH3:74])[CH:75]=[O:76].[NH2:14][c:15]1[s:16][cH:17][c:18]([C:20]([C:21](=[O:22])[OH:23])=[N:24][O:25][CH3:26])[n:19]1.[NH2:27][CH:28]1[CH:29]2[N:30]([CH:31]([C:40](=[O:41])[O:42][CH2:43][c:44]3[cH:45][cH:46][c:47]([N+:50](=[O:51])[O-:52])[cH:48][cH:49]3)[C:32](=[CH:35][O:36][C:37]([CH3:38])=[O:39])[CH2:33][S:34]2)[C:53]1=[O:54].[Na+:59].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[OH2:65].[P:1]([Cl:2])([Cl:3])([Cl:4])=[O:5]>>[NH2:14][c:15]1[s:16][cH:17][c:18]([C:20]([C:21](=[O:23])[NH:27][CH:28]2[CH:29]3[N:30]([CH:31]([C:40](=[O:41])[O:42][CH2:43][c:44]4[cH:45][cH:46][c:47]([N+:50](=[O:51])[O-:52])[cH:48][cH:49]4)[C:32](=[CH:35][O:36][C:37]([CH3:38])=[O:39])[CH2:33][S:34]3)[C:53]2=[O:54])=[N:24][O:25][CH3:26])[n:19]1