HRID311895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：COCCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c2cc1C#N

HCID10116220

未命名化合物

PRODUCTS

生成物

结构：COCCOc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c2cc1C(N)=O

HCID22936971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83d2cd0f715a4c9e9442ea0015e2dd13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:6]([O:18][c:19]3[cH:20][cH:21][c:22]([NH:25][C:26](=[O:27])[NH:28][c:29]4[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]4)[cH:23][cH:24]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][CH2:15][O:16][CH3:17].[CH3:39][S:40]([CH3:41])=[O:42].[ClH:38].[Na+:37].[OH-:36].[OH2:43]>>[C:1]([NH2:2])([c:3]1[cH:4][c:5]2[c:6]([O:18][c:19]3[cH:20][cH:21][c:22]([NH:25][C:26](=[O:27])[NH:28][c:29]4[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]4)[cH:23][cH:24]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][CH2:15][O:16][CH3:17])=[O:36]