HRID677689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID123063

1-(4-Fluorophenyl)ethan-1-amine

C8H10FN

结构：O=C(O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1

HCID10296719

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1)c1ccc(F)cc1

HCID10120287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3be557cfdfa14741a4ff185d01c9fbbb
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

[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[Cl:72][CH2:73][Cl:74].[ClH:43].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:15](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]4[cH:22][c:23]([C:28](=[O:29])[OH:30])[cH:24][n:25][c:26]4[cH:27]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:7][cH:8]1)([F:31])[F:32].[F:33][c:34]1[cH:35][cH:36][c:37]([CH:40]([CH3:41])[NH2:42])[cH:38][cH:39]1.[OH:55][n:56]1[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:15](=[O:16])[NH:17][c:18]3[cH:19][cH:20][c:21]4[cH:22][c:23]([C:28](=[O:30])[NH:42][CH:40]([c:37]5[cH:36][cH:35][c:34]([F:33])[cH:39][cH:38]5)[CH3:41])[cH:24][n:25][c:26]4[cH:27]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:7][cH:8]1)([F:31])[F:32]