HRID88035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

4 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

结构：O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NC(=S)Nc2ccccc2Cl)c1

HCID86598754

未命名化合物

HCID178527690

未命名化合物

PRODUCTS

生成物

结构：N=C(Nc1cccc(-c2c(C(=O)c3ccccc3)cnc3c(C(F)(F)F)cccc23)c1)Nc1ccccc1Cl

HCID178512005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0e232bda33948bb8a6399d628ff33da
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]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[cH:10][n:11][c:12]2[c:13]([C:36]([F:37])([F:38])[F:39])[cH:14][cH:15][cH:16][c:17]2[c:18]1-[c:19]1[cH:20][c:21]([NH:25][C:26](=[S:27])[NH:28][c:29]2[c:30]([Cl:35])[cH:31][cH:32][cH:33][cH:34]2)[cH:22][cH:23][cH:24]1.[C:40]([O-:41])(=[O:42])[CH3:43].[C:45]([O-:46])(=[O:47])[CH3:48].[C:49]([O-:50])(=[O:51])[CH3:52].[C:53]([O-:54])(=[O:55])[CH3:56].[NH4+:57].[OH-:58].[Pb+4:44]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[cH:10][n:11][c:12]2[c:13]([C:36]([F:37])([F:38])[F:39])[cH:14][cH:15][cH:16][c:17]2[c:18]1-[c:19]1[cH:20][c:21]([NH:25][C:26]([NH:28][c:29]2[c:30]([Cl:35])[cH:31][cH:32][cH:33][cH:34]2)=[NH:57])[cH:22][cH:23][cH:24]1