HRID699025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID165021

Benzene, 1-(bromomethyl)-4-methoxy-

C8H9BrO

结构：CC(C)(C)OC(=O)Nc1ccc(CN2CCNCC2(C)C)cn1

HCID66914635

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCN(Cc3ccc(NC(=O)OC(C)(C)C)nc3)C(C)(C)C2)cc1

HCID66914558

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4cf2b489e02432b80169d517799a38b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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