HRID2136940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7918

Acetic anhydride

C4H6O3

结构：CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(C)c1

HCID104335

Benzoic acid, 2-[4-(diethylamino)-2-methylbenzoyl]-

C19H21NO3

HCID19382815

N~1~,N~1~,N~3~,N~3~-Tetraethylbenzene-1,3-diamine

C14H24N2

PRODUCTS

生成物

结构：CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3N(CC)CC)OC(=O)c3ccccc32)c(C)c1

HCID86734898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-808e31b00be94f35af705ceb3dee04dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:24]([CH3:25])[N:26]([c:27]1[cH:28][c:29]([N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[cH:30][cH:31][cH:32]1)[CH2:38][CH3:39].[CH3:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][c:17]([N:19]([CH2:20][CH3:21])[CH2:22][CH3:23])[cH:18]1.[CH3:40][C:41]([O:42][C:43](=[O:44])[CH3:45])=[O:46].[OH2:47]>>[CH3:1][c:2]1[c:3]([C:4]2([c:30]3[c:29]([N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[cH:28][c:27]([N:26]([CH2:24][CH3:25])[CH2:38][CH3:39])[cH:32][cH:31]3)[O:5][C:8](=[O:9])[c:7]3[c:6]2[cH:14][cH:13][cH:12][cH:11]3)[cH:15][cH:16][c:17]([N:19]([CH2:20][CH3:21])[CH2:22][CH3:23])[cH:18]1