HRID2343153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID13364

Ethanamine, 2-chloro-N,N-diethyl-

C6H14ClN

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID605123

2-(4-Fluorophenoxy)nicotinic acid

C12H8FNO3

HCID22612225

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)C1CC=C(CNC(=O)c2cccnc2Oc2ccc(F)cc2)CC1

HCID22612206

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e71c290cfda4f0690e296fd2814d331
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:14]([N:15]([CH2:16][CH3:17])[CH2:18][CH2:19][Cl:20])[CH3:21].[CH2:50]([N:51]([CH2:52][CH3:53])[CH2:54][CH3:55])[CH3:56].[CH2:57]([Cl:58])[Cl:59].[ClH:13].[F:22][c:23]1[cH:24][cH:25][c:26]([O:27][c:28]2[c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34][cH:35][n:36]2)[cH:37][cH:38]1.[NH2:1][CH2:2][C:3]1=[CH:4][CH2:5][CH:6]([C:9]([CH3:10])([CH3:11])[OH:12])[CH2:7][CH2:8]1.[OH2:39].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[NH:1]([CH2:2][C:3]1=[CH:4][CH2:5][CH:6]([C:9]([CH3:10])([CH3:11])[OH:12])[CH2:7][CH2:8]1)[C:30]([c:29]1[c:28]([O:27][c:26]2[cH:25][cH:24][c:23]([F:22])[cH:38][cH:37]2)[n:36][cH:35][cH:34][cH:33]1)=[O:31]