HRID185558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID3301

Ethylenediamine

C2H8N2

结构：CCCCN(c1nc(Cl)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1

HCID11114220

未命名化合物

PRODUCTS

生成物

结构：CCCCN(c1nc(NCCN)nc(N(CCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1

HCID57077922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd0c15839fa3403cb9ea68b1b69c59fb
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

[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:1][c:2]1[n:3][c:4]([N:23]([CH2:24][CH2:25][CH2:26][CH3:27])[CH:28]2[CH2:29][C:30]([CH3:36])([CH3:37])[NH:31][C:32]([CH3:34])([CH3:35])[CH2:33]2)[n:5][c:6]([N:8]([CH2:9][CH2:10][CH2:11][CH3:12])[CH:13]2[CH2:14][C:15]([CH3:21])([CH3:22])[NH:16][C:17]([CH3:19])([CH3:20])[CH2:18]2)[n:7]1.[NH2:47][CH2:48][CH2:49][NH2:50].[Na+:46].[OH-:45]>>[c:2]1([NH:50][CH2:49][CH2:48][NH2:47])[n:3][c:4]([N:23]([CH2:24][CH2:25][CH2:26][CH3:27])[CH:28]2[CH2:29][C:30]([CH3:36])([CH3:37])[NH:31][C:32]([CH3:34])([CH3:35])[CH2:33]2)[n:5][c:6]([N:8]([CH2:9][CH2:10][CH2:11][CH3:12])[CH:13]2[CH2:14][C:15]([CH3:21])([CH3:22])[NH:16][C:17]([CH3:19])([CH3:20])[CH2:18]2)[n:7]1