HRID111635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl Acetate

C4H8O2

HCID53630274

3-(Cycloundecen-1-yl)-1,2-diazacycloundec-2-ene

C20H36N2

HCID68415220

未命名化合物

PRODUCTS

产物

HCID178437818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fcab72af67184a50b1f144ad3a525ee9
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

[C:38]1([C:39]2=[CH:49][CH2:48][CH2:47][CH2:46][CH2:45][CH2:44][CH2:43][CH2:42][CH2:41][CH2:40]2)=[N:59][NH:58][CH2:57][CH2:56][CH2:55][CH2:54][CH2:53][CH2:52][CH2:51][CH2:50]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cl:1][CH2:2][Cl:3].[Cl:4][c:5]1[n:6][c:7]([C:12](=[O:13])[NH:14][CH:15]2[CH:16]([O:36][CH3:37])[CH2:17][N:18]([c:21]3[s:22][c:23](-[c:27]4[n:28][n:29][n:30][n:31]4[CH2:32][CH2:33][C:34]#[N:35])[c:24]([CH3:26])[n:25]3)[CH2:19][CH2:20]2)[nH:8][c:9]1[CH2:10][CH3:11].[ClH:60].[OH2:67]>>[Cl:4][c:5]1[n:6][c:7]([C:12](=[O:13])[NH:14][CH:15]2[CH:16]([O:36][CH3:37])[CH2:17][N:18]([c:21]3[s:22][c:23](-[c:27]4[nH:28][n:29][n:30][n:31]4)[c:24]([CH3:26])[n:25]3)[CH2:19][CH2:20]2)[nH:8][c:9]1[CH2:10][CH3:11]