HRID1116344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6535

Triethyl phosphate

C6H15O4P

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)CN(C(=O)c1nnn(-c2ccccc2F)c1CBr)C1CC(C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1

HCID178449429

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1c(C(=O)N(CC(C)C)C2CC(C(=O)N3CCOCC3)CN(C(=O)OC(C)(C)C)C2)nnn1-c1ccccc1F)OCC

HCID178476880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37f7d25dd86c4d14956aa4adfd89a347
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

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