HRID2312757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID254415

未命名化合物

结构：COc1cc(OCCO)c(F)c(C(Nc2ccc(C(N)=NC(=O)OCC(C)(C)C)cc2)c2nc(OCCl)n(-c3ncccn3)n2)c1

HCID67470504

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCCO)c(F)c(C(Nc2ccc(C(N)=NC(=O)OCC(C)(C)C)cc2)c2nc(OCOC(=O)C(C)(C)C(=O)OC(C)(C)C)n(-c3ncccn3)n2)c1

HCID77426633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e46233a7821d4433800036a854d14f4f
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:47]([CH3:48])([CH3:49])([CH3:50])[O:51][C:52]([C:53]([C:54](=[O:55])[OH:56])([CH3:57])[CH3:58])=[O:59].[C:62](=[O:63])([O-:64])[OH:65].[CH3:1][C:2]([CH2:3][O:4][C:5]([N:6]=[C:7]([c:8]1[cH:9][cH:10][c:11]([NH:14][CH:15]([c:16]2[c:17]([F:28])[c:18]([O:24][CH2:25][CH2:26][OH:27])[cH:19][c:20]([O:22][CH3:23])[cH:21]2)[c:29]2[n:30][n:31](-[c:37]3[n:38][cH:39][cH:40][cH:41][n:42]3)[c:32]([O:34][CH2:35][Cl:36])[n:33]2)[cH:12][cH:13]1)[NH2:43])=[O:44])([CH3:45])[CH3:46].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[Cl-:68].[I-:61].[K+:66].[Na+:60].[Na+:67].[OH2:75]>>[CH3:1][C:2]([CH2:3][O:4][C:5]([N:6]=[C:7]([c:8]1[cH:9][cH:10][c:11]([NH:14][CH:15]([c:16]2[c:17]([F:28])[c:18]([O:24][CH2:25][CH2:26][OH:27])[cH:19][c:20]([O:22][CH3:23])[cH:21]2)[c:29]2[n:30][n:31](-[c:37]3[n:38][cH:39][cH:40][cH:41][n:42]3)[c:32]([O:34][CH2:35][O:56][C:54]([C:53]([C:52]([O:51][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:59])([CH3:57])[CH3:58])=[O:55])[n:33]2)[cH:12][cH:13]1)[NH2:43])=[O:44])([CH3:45])[CH3:46]