HRID677063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID166653

Hydride

H-

HCID2733706

Ethyl 1-hydroxycyclopropanecarboxylate

C6H10O3

结构：CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2nc(Cl)n(C)c(=O)c21

HCID23070741

未命名化合物

PRODUCTS

生成物

结构：CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2nc(OC3(C(=O)OCC)CC3)n(C)c(=O)c21

HCID23070912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff9343e240a64a6e9939d6d7fa9e159e
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

[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[n:7][c:8]2[n:9][c:10]([Cl:16])[n:11]([CH3:15])[c:12](=[O:14])[c:13]12.[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[ClH:41].[H-:39].[Na+:40].[OH:30][C:31]1([C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH2:32][CH2:33]1>>[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[n:7][c:8]2[n:9][c:10]([O:30][C:31]3([C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH2:32][CH2:33]3)[n:11]([CH3:15])[c:12](=[O:14])[c:13]12