HRID1121011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8143

1-Octanamine

C8H19N

结构：CC(C)N(c1nc(Cl)nc(N2C(C)(C)CC3(CC2(C)C)OCCO3)n1)C(C)C

HCID19991775

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCNc1nc(N(C(C)C)C(C)C)nc(N2C(C)(C)CC3(CC2(C)C)OCCO3)n1

HCID19991798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f12f3ad06b94bfb9d9bcc58801a060c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:29]([CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[NH2:37].[Cl:1][c:2]1[n:3][c:4]([N:15]2[C:16]([CH3:27])([CH3:28])[CH2:17][C:18]3([CH2:19][C:20]2([CH3:21])[CH3:22])[O:23][CH2:24][CH2:25][O:26]3)[n:5][c:6]([N:8]([CH:9]([CH3:10])[CH3:11])[CH:12]([CH3:13])[CH3:14])[n:7]1.[OH2:38]>>[c:2]1([NH:37][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[n:3][c:4]([N:15]2[C:16]([CH3:27])([CH3:28])[CH2:17][C:18]3([CH2:19][C:20]2([CH3:21])[CH3:22])[O:23][CH2:24][CH2:25][O:26]3)[n:5][c:6]([N:8]([CH:9]([CH3:10])[CH3:11])[CH:12]([CH3:13])[CH3:14])[n:7]1