HRID160179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID3387131

1-amino-3-(2,4-dimethylphenoxy)propan-2-ol

C11H17NO2

结构：CN1CCC(N2C(=O)c3cc4[nH]c(-c5c(Cl)cc[nH]c5=O)nc4c(Cl)c3C2=O)CC1

HCID136200438

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(OCC(O)CNc2cc[nH]c(=O)c2-c2nc3c(Cl)c4c(cc3[nH]2)C(=O)N(C2CCN(C)CC2)C4=O)c(C)c1

HCID136351161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b86aff8c13a4451f8522a8af2fb2cf2c
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

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