HRID681403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID947

Nitrogen

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6916

Diethylcarbamoyl chloride

C5H10ClNO

HCID8471

Triethylamine

C6H15N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：O=c1c([NH+]2CCCC2)c(O)c2cccnc2n1-c1ccccc1

HCID54714534

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)Oc1c(N2CCCC2)c(=O)n(-c2ccccc2)c2ncccc12

HCID19865441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf86ab1cbff34c91aafa10cd280b1e18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:25]([CH3:26])[N:27]([C:28](=[O:29])[Cl:30])[CH2:31][CH3:32].[CH3:52][C:53](=[O:54])[OH:55].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[N:33]#[N:34].[N:35]12[CH2:36][CH2:37][CH2:38][N:39]=[C:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2.[OH-:1].[OH:2][c:3]1[c:4]([NH+:20]2[CH2:21][CH2:22][CH2:23][CH2:24]2)[c:5](=[O:19])[n:6](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:7]2[n:8][cH:9][cH:10][cH:11][c:12]12.[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[O:2]([c:3]1[c:4]([N:20]2[CH2:21][CH2:22][CH2:23][CH2:24]2)[c:5](=[O:19])[n:6](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:7]2[n:8][cH:9][cH:10][cH:11][c:12]12)[C:28]([N:27]([CH2:25][CH3:26])[CH2:31][CH3:32])=[O:29]