HRID2320631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID8058

n-Hexane

C6H14

HCID145264

3-(Trifluoromethoxy)benzylamine

C8H8F3NO

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOC(=O)c1noc(-c2cc(Br)c(O)c(Br)c2)n1

HCID136139578

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cccc(OC(F)(F)F)c1)c1noc(-c2cc(Br)c(O)c(Br)c2)n1

HCID135870548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d96f446390934a95bfc2c505d4a09cbe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:18][c:19]1[cH:20][c:21](-[c:27]2[n:28][c:29]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[n:30][o:31]2)[cH:22][c:23]([Br:26])[c:24]1[OH:25].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[CH:44]([Cl:45])([Cl:46])[Cl:47].[F:5][C:6]([O:7][c:8]1[cH:9][c:10]([CH2:11][NH2:12])[cH:13][cH:14][cH:15]1)([F:16])[F:17].[OH2:37]>>[F:5][C:6]([O:7][c:8]1[cH:9][c:10]([CH2:11][NH:12][C:32]([c:29]2[n:28][c:27](-[c:21]3[cH:20][c:19]([Br:18])[c:24]([OH:25])[c:23]([Br:26])[cH:22]3)[o:31][n:30]2)=[O:33])[cH:13][cH:14][cH:15]1)([F:16])[F:17]