HRID2318942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID8083

Morpholine

C4H9NO

反应SMILES：CCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1

HCID15218751

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCN(c1nc(N2CCOCC2)nc(N(CCCC)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1

HCID19768354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-51f706d1c79e4c95a4c2f6dbc827e468
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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