HRID1122360

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID2777251

2-(Trifluoromethoxy)benzylamine

C8H8F3NO

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOC(=O)c1cc(C(F)(F)F)nn1C1CCN(CCN(C)C(=O)OC(C)(C)C)CC1

HCID59843232

未命名化合物

PRODUCTS

生成物

结构：CN(CCN1CCC(n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2OC(F)(F)F)CC1)C(=O)OC(C)(C)C

HCID59843247

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e281c2cea8f141afa1ea14a322e8db0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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