HRID188018

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID9773

Ethanamine, 2,2,2-trifluoro-

C2H4F3N

HCID31275

1,4-Dioxane

C4H8O2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2C)nc1

HCID68442749

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccc(F)c(F)c2)c1COc1ccc(C(=O)NCC(F)(F)F)cn1

HCID42630777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1922e4c1962451fb33543757a7e6cec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:11][O:12][C:13]([c:14]1[cH:15][n:16][c:17]([O:20][CH2:21][c:22]2[c:23](-[c:28]3[cH:29][c:30]([F:35])[c:31]([F:34])[cH:32][cH:33]3)[n:24][o:25][c:26]2[CH3:27])[cH:18][cH:19]1)=[O:36].[CH3:1][Al:2]([CH3:3])[CH3:4].[F:5][C:6]([CH2:7][NH2:8])([F:9])[F:10].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[OH2:37]>>[F:5][C:6]([CH2:7][NH:8][C:13](=[O:12])[c:14]1[cH:15][n:16][c:17]([O:20][CH2:21][c:22]2[c:23](-[c:28]3[cH:29][c:30]([F:35])[c:31]([F:34])[cH:32][cH:33]3)[n:24][o:25][c:26]2[CH3:27])[cH:18][cH:19]1)([F:9])[F:10]