HRID1556726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6420

Trichloroacetyl chloride

C2Cl4O

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)(C)OC(=O)N(CCCCNC(=O)C(F)(F)F)Cc1cccc2nccn12

HCID21190090

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(CCCCNC(=O)C(F)(F)F)Cc1cccc2ncc(C(=O)C(Cl)(Cl)Cl)n12

HCID21190140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03e21e973f1c482cbf5bc0bac1443c40
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])[N:8]([CH2:9][CH2:10][CH2:11][CH2:12][NH:13][C:14]([C:15]([F:16])([F:17])[F:18])=[O:19])[CH2:20][c:21]1[cH:22][cH:23][cH:24][c:25]2[n:26]1[cH:27][cH:28][n:29]2.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:37][N:38]([c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1)[CH3:45].[Cl:30][C:31]([C:32](=[O:33])[Cl:34])([Cl:35])[Cl:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][CH2:11][CH2:12][NH:13][C:14]([C:15]([F:16])([F:17])[F:18])=[O:19])[CH2:20][c:21]1[cH:22][cH:23][cH:24][c:25]2[n:26]1[c:27]([C:32]([C:31]([Cl:30])([Cl:35])[Cl:36])=[O:33])[cH:28][n:29]2