HRID114127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID407

Phosphonic acid

H3O3P

HCID6334

Propane

C3H8

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID43314908

1-(Cyclopropylmethyl)-N-methyl-4-piperidinamine

C10H20N2

结构：Cc1nc(OCC(=O)O)nc(C)c1NC(=O)OC(C)(C)C

HCID59336168

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(OCC(=O)N(C)C2CCN(CC3CC3)CC2)nc(C)c1NC(=O)OC(C)(C)C

HCID59336181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b13801fe4a14ccfb08ee2bd19cbe6ed
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([CH3:21])[n:11][c:12]([O:16][CH2:17][C:18](=[O:19])[OH:20])[n:13][c:14]1[CH3:15].[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:51][CH2:52][CH3:53].[CH3:54][C:55]#[N:56].[CH:22]1([CH2:25][N:26]2[CH2:27][CH2:28][CH:29]([NH:32][CH3:33])[CH2:30][CH2:31]2)[CH2:23][CH2:24]1.[PH:47]([OH:48])([OH:49])=[O:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([CH3:21])[n:11][c:12]([O:16][CH2:17][C:18](=[O:20])[N:32]([CH:29]2[CH2:28][CH2:27][N:26]([CH2:25][CH:22]3[CH2:23][CH2:24]3)[CH2:31][CH2:30]2)[CH3:33])[n:13][c:14]1[CH3:15]