HRID298676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID22741

4-Phenoxybutanoic acid

C10H12O3

HCID136736

Benzenamine, 2-chloro-N-methyl-

C7H8ClN

HCID86634839

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1nc2c(s1)CCOc1ccccc1-2)c1ccccc1Cl

HCID53234816

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04154e91defb48349cbb937993998323
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

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