HRID95903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID2735875

1-(2-Cyanophenyl)piperazine

C11H13N3

结构：Cc1cc(-c2nn(CC3CO3)c3c2CN(C(=O)OC(C)(C)C)CC3)ccc1Cl

HCID86584817

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2nn(CC(O)CN3CCN(c4ccccc4C#N)CC3)c3c2CN(C(=O)OC(C)(C)C)CC3)ccc1Cl

HCID68462199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06f0edbd10fd4b8594d80b5e28996794
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])[N:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:25][CH:26]3[O:27][CH2:28]3)[n:15][c:16]2-[c:17]2[cH:18][c:19]([CH3:24])[c:20]([Cl:23])[cH:21][cH:22]2)[CH2:12][CH2:13]1.[C:29](#[N:30])[c:31]1[c:32]([N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:33][cH:34][cH:35][cH:36]1.[CH3:43][CH2:44][OH:45].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:25][CH:26]([OH:27])[CH2:28][N:40]3[CH2:39][CH2:38][N:37]([c:32]4[c:31]([C:29]#[N:30])[cH:36][cH:35][cH:34][cH:33]4)[CH2:42][CH2:41]3)[n:15][c:16]2-[c:17]2[cH:18][c:19]([CH3:24])[c:20]([Cl:23])[cH:21][cH:22]2)[CH2:12][CH2:13]1