HRID304985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID70542

1-(2,5-Xylyl)piperazine

C12H18N2

结构：Cc1cc(F)ccc1N1CCN(C(=O)OC(C)(C)C)CC1C(=O)O

HCID11279174

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C)c(N2CCN(C(=O)C3CN(C(=O)OC(C)(C)C)CCN3c3ccc(F)cc3C)CC2)c1

HCID68728844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-158edb081740496e8f64b6ee54e0d4fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:22](=[O:23])[OH:24])[N:11]([c:14]2[c:15]([CH3:21])[cH:16][c:17]([F:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH3:25][c:26]1[c:27]([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:28][c:29]([CH3:32])[cH:30][cH:31]1.[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:22](=[O:24])[N:36]2[CH2:35][CH2:34][N:33]([c:27]3[c:26]([CH3:25])[cH:31][cH:30][c:29]([CH3:32])[cH:28]3)[CH2:38][CH2:37]2)[N:11]([c:14]2[c:15]([CH3:21])[cH:16][c:17]([F:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1