HRID97452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID81531

Diisopropylethylamine

C8H19N

HCID408285

2-Morpholinoethylamine

C6H14N2O

结构：O=C(O)c1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

HCID59815655

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCN1CCOCC1)c1cnc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

HCID11376158

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d60a333ae8fa42a894bd607dfe7c717a
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:32]([n:33]1[cH:34][cH:35][n:36][cH:37]1)([n:38]1[cH:39][cH:40][n:41][cH:42]1)=[O:43].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[n:21][cH:22][c:23]([C:25](=[O:26])[OH:27])[cH:24]4)[cH:14][cH:15]2)[cH:28][cH:29]1)([F:30])[F:31].[O:53]1[CH2:54][CH2:55][N:56]([CH2:59][CH2:60][NH2:61])[CH2:57][CH2:58]1>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[n:21][cH:22][c:23]([C:25](=[O:27])[NH:61][CH2:60][CH2:59][N:56]3[CH2:55][CH2:54][O:53][CH2:58][CH2:57]3)[cH:24]4)[cH:14][cH:15]2)[cH:28][cH:29]1)([F:30])[F:31]