HRID299189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID97780

2-Bromo-2-phenylacetic acid ethyl ester

C10H11BrO2

HCID59490403

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(c1ccccc1)N1CCc2c(cnc3c2cnn3Cc2ccc(OC)cc2)C1

HCID59490451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da063d3d98b0402ca03a0b50875382cc
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

[Br:30][CH:31]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][cH:10][c:11]3[c:12]2[n:13][cH:14][c:15]2[c:20]3[CH2:19][CH2:18][NH:17][CH2:16]2)[cH:21][cH:22]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[Cl:48][CH2:49][Cl:50].[Na+:47].[O-:43][C:44]([OH:45])=[O:46]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][n:8]2[n:9][cH:10][c:11]3[c:12]2[n:13][cH:14][c:15]2[c:20]3[CH2:19][CH2:18][N:17]([CH:31]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[CH2:16]2)[cH:21][cH:22]1