HRID678614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID410901

未命名化合物

HCID2760892

9H-xanthene-9-carbonyl chloride

C14H9ClO2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1ccccc1N1CCN(CCCOC(=O)C2c3ccccc3Oc3ccccc32)CC1

HCID15572528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5a70bd180aa40fb93fea1521e807c68
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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