HRID1215890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID74740

Benzenemethanesulfonyl chloride

C7H7ClO2S

结构：CC(C)c1cccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCN)c4)ccc3n2C)c1

HCID21037323

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCNS(=O)(=O)Cc5ccccc5)c4)ccc3n2C)c1

HCID22041241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e855c6927d74fb8b1f0d8a5aa12801e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:40][C:41]#[N:42].[K+:34].[K+:35].[NH2:1][CH2:2][CH2:3][NH:4][C:5](=[O:6])[c:7]1[n:8][cH:9][cH:10][c:11]([O:13][c:14]2[cH:15][c:16]3[c:17]([n:18]([CH3:31])[c:19]([NH:21][c:22]4[cH:23][c:24]([CH:28]([CH3:29])[CH3:30])[cH:25][cH:26][cH:27]4)[n:20]3)[cH:32][cH:33]2)[cH:12]1.[O-:36][C:37]([O-:38])=[O:39].[OH2:54].[c:43]1([CH2:49][S:50](=[O:51])(=[O:52])[Cl:53])[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[NH:1]([CH2:2][CH2:3][NH:4][C:5](=[O:6])[c:7]1[n:8][cH:9][cH:10][c:11]([O:13][c:14]2[cH:15][c:16]3[c:17]([n:18]([CH3:31])[c:19]([NH:21][c:22]4[cH:23][c:24]([CH:28]([CH3:29])[CH3:30])[cH:25][cH:26][cH:27]4)[n:20]3)[cH:32][cH:33]2)[cH:12]1)[S:50]([CH2:49][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)(=[O:51])=[O:52]