HRID1573363

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2778204

2-Fluoro-5-iodobenzoyl chloride

C7H3ClFIO

结构：CN(C(=O)OC(C)(C)C)C1CCCN(c2ccc(C(F)(F)F)cc2N)C1

HCID68460855

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)C1CCCN(c2ccc(C(F)(F)F)cc2NC(=O)c2cc(I)ccc2F)C1

HCID68457850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cda4853e5f824f2b8c64981741c5594c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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