HRID150936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID76447

2-(Trifluoromethyl)benzylamine

C8H8F3N

结构：CC(C)(C)OC(=O)N1CC2CN(c3cncc(C(=O)O)c3)CC2C1

HCID67181979

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CN(c3cncc(C(=O)NCc4ccccc4C(F)(F)F)c3)CC2C1

HCID67265603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eec53a6819e24ccf9a784a28188a9cb5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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