HRID1549556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

结构：CCOC(=O)C1(Nc2ccccc2)CCN(CCc2ccccc2)CC1

HCID12298147

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCOC(=O)C1(N(C(=O)C2CC2)c2ccccc2)CCN(CCc2ccccc2)CC1

HCID12297999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c251f219e55d4de0859d3132aa3e4920
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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