HRID674883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8076

2-Ethoxyethanol

C4H10O2

HCID8471

Triethylamine

C6H15N

HCID12368203

4-Iodo-1-phthalimido-pentane

C13H14INO2

结构：COc1cc(N)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1

HCID13004203

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(C)CCCN2C(=O)c3ccccc3C2=O)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1

HCID13004205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8e604e7eea84d05b04577d53f1b752d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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