HRID108919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

2 次

HCID8019

2-Methoxyethanol

C3H8O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

2 次

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Cc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(CO)cc3)c(F)c2)ccn1

HCID11533254

未命名化合物

PRODUCTS

生成物

结构：COCCOCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(C)c3)cc2F)cc1

HCID11649659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c121d5db17c84a56affafb7eaff55729
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]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:18][C:19](=[O:20])[NH:21][c:22]2[c:23]([F:36])[cH:24][c:25]([O:28][c:29]3[cH:30][c:31]([CH3:35])[n:32][cH:33][cH:34]3)[cH:26][cH:27]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH2:16][OH:17])[cH:14][cH:15]2)[n:9]1.[C:53](=[O:54])([O-:55])[O-:56].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:43][S:44](=[O:45])(=[O:46])[Cl:47].[CH3:48][O:49][CH2:50][CH2:51][OH:52].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[K+:37].[K+:38].[Na+:57].[Na+:58].[O-:39][C:40]([O-:41])=[O:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:18][C:19](=[O:20])[NH:21][c:22]2[c:23]([F:36])[cH:24][c:25]([O:28][c:29]3[cH:30][c:31]([CH3:35])[n:32][cH:33][cH:34]3)[cH:26][cH:27]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([CH2:16][O:17][CH2:51][CH2:50][O:49][CH3:48])[cH:14][cH:15]2)[n:9]1