HRID662711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：COC(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(C)c3)cc2F)cc1

HCID53630184

未命名化合物

结构：COC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(C)c3)cc2F)c1

HCID53630187

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(C(=O)O)c3)c(F)c2)ccn1

HCID53630186

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-941790342fed488389ab21ba357765c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6](-[n:10]2[n:11][c:12]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:13][c:14]2[NH:15][C:16](=[O:17])[NH:18][c:19]2[c:20]([F:33])[cH:21][c:22]([O:25][c:26]3[cH:27][c:28]([CH3:32])[n:29][cH:30][cH:31]3)[cH:23][cH:24]2)[cH:7][cH:8][cH:9]1)=[O:38].[CH3:39][O:40][C:41](=[O:42])[c:43]1[cH:44][cH:45][c:46](-[n:47]2[c:48]([NH:49][C:50]([NH:51][c:52]3[cH:53][cH:54][c:55]([O:56][c:57]4[cH:58][cH:59][n:60][c:61]([CH3:62])[cH:63]4)[cH:64][c:65]3[F:66])=[O:67])[cH:68][c:69]([C:70]([CH3:71])([CH3:72])[CH3:73])[n:74]2)[cH:75][cH:76]1.[CH3:79][OH:80].[K+:78].[OH-:77].[OH2:81]>>[O:2]=[C:3]([c:4]1[cH:5][c:6](-[n:10]2[n:11][c:12]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:13][c:14]2[NH:15][C:16](=[O:17])[NH:18][c:19]2[c:20]([F:33])[cH:21][c:22]([O:25][c:26]3[cH:27][c:28]([CH3:32])[n:29][cH:30][cH:31]3)[cH:23][cH:24]2)[cH:7][cH:8][cH:9]1)[OH:38]