HRID826186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8113

Diethanolamine

C4H11NO2

反应SMILES：CON1C(C)(C)CC(CCCCNc2nc(Cl)nc(NCCCCC3CC(C)(C)N(OC)C(C)(C)C3)n2)CC1(C)C

HCID54468862

未命名化合物

PRODUCTS

产物

反应SMILES：CON1C(C)(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)N(OC)C(C)(C)C3)nc(N(CCO)CCO)n2)CC1(C)C

HCID53898869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b01a2f14ad42474e967b6d54db56ec1f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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