HRID1124480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID8471

Triethylamine

C6H15N

HCID16197

Benzeneacetic acid, 4-chloro-.alpha.-(1-methylethyl)-

C11H13ClO2

HCID12883869

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1Cn1nc(COC(=O)C(c2ccc(Cl)cc2)C(C)C)oc1=O

HCID12883871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-101fd60d02984011b8becb14a8ed6ad6
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

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