HRID665035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11435243

2-chloro-5-fluoronicotinic acid

C6H3ClFNO2

HCID14514888

tert-Butyl 4-(aminomethyl)benzoate

C12H17NO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(CNC(=O)c2cc(F)cnc2Cl)cc1

HCID86627076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b93e84cff5ef40c88b1b3879307613a9
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

[CH3:28][N:29]([CH3:30])[CH2:31][CH2:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH3:38].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([F:11])[cH:9][n:10]1.[Cl:50][CH2:51][Cl:52].[ClH:27].[NH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26]1.[OH2:39].[OH2:53].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:12][CH2:13][c:14]2[cH:15][cH:16][c:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26]2)[cH:7][c:8]([F:11])[cH:9][n:10]1