HRID200058

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID1346

Ortho-Methoxyphenylpiperazine

C11H16N2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

结构：CCOC(=O)CCCn1cc(C(=O)c2ccc(N)c(OCCCCl)c2)c2ccccc21

HCID21197988

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCOC(=O)CCCn1cc(C(=O)c2ccc(N)c(OCCCN3CCN(c4ccccc4OC)CC3)c2)c2ccccc21

HCID21197993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2685b3f15f18476cad88b58f87fcd840
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:49](=[O:50])([O-:51])[O-:52].[CH3:33][O:34][c:35]1[c:36]([N:41]2[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)[cH:37][cH:38][cH:39][cH:40]1.[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[ClH:32].[I-:48].[K+:47].[K+:53].[K+:54].[NH2:1][c:2]1[c:3]([O:27][CH2:28][CH2:29][CH2:30][Cl:31])[cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][n:10]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:25][cH:26]1>>[ClH:31].[NH2:1][c:2]1[c:3]([O:27][CH2:28][CH2:29][CH2:30][N:44]2[CH2:43][CH2:42][N:41]([c:36]3[c:35]([O:34][CH3:33])[cH:40][cH:39][cH:38][cH:37]3)[CH2:46][CH2:45]2)[cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][n:10]([CH2:17][CH2:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:25][cH:26]1