HRID1132351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID74404

2-Chloropyrimidine

C4H3ClN2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC2NCC(Oc3ccc(F)c(F)c3)C21

HCID67608719

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC2C1C(Oc1ccc(F)c(F)c1)CN2c1ncccn1

HCID67608380

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a072131abfaa4c4e8b1ba315eeb3d0f0
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[C:16](=[O:17])[N:18]1[CH:19]2[CH:20]([CH2:21][CH2:22]1)[NH:23][CH2:24][CH:25]2[O:26][c:27]1[cH:28][c:29]([F:34])[c:30]([F:33])[cH:31][cH:32]1)=[O:35].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:45][c:46]1[n:47][cH:48][cH:49][cH:50][n:51]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:57]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([NH:10][CH:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[C:16](=[O:17])[N:18]1[CH:19]2[CH:20]([CH2:21][CH2:22]1)[N:23]([c:46]1[n:47][cH:48][cH:49][cH:50][n:51]1)[CH2:24][CH:25]2[O:26][c:27]1[cH:28][c:29]([F:34])[c:30]([F:33])[cH:31][cH:32]1)=[O:35]