HRID1201226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：O=C(c1cc(F)cc(F)c1)c1ccc2c(c1)c(NC(=O)C(F)(F)F)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID86647614

未命名化合物

PRODUCTS

生成物

结构：Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(C(=O)c3cc(F)cc(F)c3)cc12

HCID68670918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1576143a0ef649d5971258aa9f13579c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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