HRID1563086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6422

未命名化合物

HCID7520

Benzene, (methylthio)-

C7H8S

HCID19660

Carbonate

CO3-2

结构：O=C(Nc1ccc(Oc2ncnc3[nH]c(-c4ccc(OCc5ccccc5)cc4)cc23)cc1)Nc1cccc(F)c1

HCID58930883

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Oc2ncnc3[nH]c(-c4ccc(O)cc4)cc23)cc1)Nc1cccc(F)c1

HCID58930969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf97b180b62d483d8dd0cd1b0eda161f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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