HRID1572882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID7679

Benzeneacetyl chloride

C8H7ClO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：COCCCOc1cc(C(=O)N(CC2CN(Cc3ccccc3)CC2CNC(C)C)C(C)C)ccc1OC

HCID70840736

未命名化合物

PRODUCTS

生成物

结构：COCCCOc1cc(C(=O)N(CC2CN(Cc3ccccc3)CC2CN(C(=O)Cc2ccccc2)C(C)C)C(C)C)ccc1OC

HCID68617426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0582bdcfb9b34a24ae732b84a5d39abf
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([CH2:18][N:19]([C:20]([c:21]2[cH:22][c:23]([O:29][CH2:30][CH2:31][CH2:32][O:33][CH3:34])[c:24]([O:27][CH3:28])[cH:25][cH:26]2)=[O:35])[CH:36]([CH3:37])[CH3:38])[CH:11]([CH2:13][NH:14][CH:15]([CH3:16])[CH3:17])[CH2:12]1.[CH2:39]([N:40]([CH2:41][CH3:42])[CH2:43][CH3:44])[CH3:45].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[Cl:67][CH2:68][Cl:69].[Na+:57].[OH-:56].[c:46]1([CH2:52][C:53](=[O:54])[Cl:55])[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([CH2:18][N:19]([C:20]([c:21]2[cH:22][c:23]([O:29][CH2:30][CH2:31][CH2:32][O:33][CH3:34])[c:24]([O:27][CH3:28])[cH:25][cH:26]2)=[O:35])[CH:36]([CH3:37])[CH3:38])[CH:11]([CH2:13][N:14]([CH:15]([CH3:16])[CH3:17])[C:53]([CH2:52][c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)=[O:54])[CH2:12]1