HRID1555900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC(CC(=O)O)Cc1cc(F)ccc1F

HCID21911201

未命名化合物

HCID53471985

Ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate

C12H13F3N2O2

PRODUCTS

生成物

结构：CCOC(=O)c1cc2c(nc1C(F)(F)F)CN(C(=O)CC(Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C)CC2

HCID77623820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abbd1cae01a447dbae10af9fdac52b25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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