HRID87482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

结构：Cc1ccc2c(N3CCCC(CN(C(=O)[O-])C4CCOC4)C3)nc(-c3ccccc3O)nc2c1

HCID178422893

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID136399448

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90b8f99be8594c32ba113c754613ba5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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