HRID162774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID81531

Diisopropylethylamine

C8H19N

HCID11119066

4-[2-(1-Piperidinyl)ethoxy]benzoyl chloride

C14H18ClNO2

HCID23087511

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc3cc(OC)ccc3c2)c(NC(=O)c2ccc(OCCN3CCCCC3)cc2)c1

HCID23087459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75aa133eff594275b719b2f836ae0d02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:10]2[cH:11][c:12]3[cH:13][cH:14][c:15]([O:20][CH3:21])[cH:16][c:17]3[cH:18][cH:19]2)[c:7]([NH2:9])[cH:8]1.[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH:22]([N:23]([CH2:24][CH3:25])[CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[Cl-:50].[ClH:31].[N:32]1([CH2:38][CH2:39][O:40][c:41]2[cH:42][cH:43][c:44]([C:45](=[O:46])[Cl:47])[cH:48][cH:49]2)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[NH4+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:10]2[cH:11][c:12]3[cH:13][cH:14][c:15]([O:20][CH3:21])[cH:16][c:17]3[cH:18][cH:19]2)[c:7]([NH:9][C:45]([c:44]2[cH:43][cH:42][c:41]([O:40][CH2:39][CH2:38][N:32]3[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]3)[cH:49][cH:48]2)=[O:46])[cH:8]1