HRID98578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID10014651

(3-Bromomethyl-phenyl)-acetic acid methyl ester

C10H11BrO2

HCID57966227

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1cccc(CN(C(C)C)C2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1

HCID57966261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72fb308b57404e23bb100f0cc4085e0d
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:34](=[O:35])([O-:36])[O-:37].[CH3:21][O:22][C:23]([CH2:24][c:25]1[cH:26][c:27]([CH2:31][Br:32])[cH:28][cH:29][cH:30]1)=[O:33].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH2:11][CH:12]([NH:15][CH:16]([CH3:17])[CH3:18])[CH2:13][CH2:14]3)[s:8]2)[cH:19][cH:20]1.[K+:38].[K+:39].[OH2:45]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([N:9]3[CH2:10][CH2:11][CH:12]([N:15]([CH:16]([CH3:17])[CH3:18])[CH2:31][c:27]4[cH:26][c:25]([CH2:24][C:23]([O:22][CH3:21])=[O:33])[cH:30][cH:29][cH:28]4)[CH2:13][CH2:14]3)[s:8]2)[cH:19][cH:20]1