HRID193213

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(B3OC(C)(C)C(C)(C)O3)cc1OCC2

HCID58204713

未命名化合物

结构：COC(=O)C1CN(C(=O)OC(C)(C)C)CCC1OS(=O)(=O)C(F)(F)F

HCID86652311

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(c2ccc3c(c2)OCCn2cc(-c4ncnn4C(C)C)nc2-3)CCN(C(=O)OC(C)(C)C)C1

HCID58204286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5863c4cc1e814a70807603d63101c924
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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