HRID2346406

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID73753

3-(Trifluoromethoxy)aniline

C7H6F3NO

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOC(=O)c1nc(-c2cc(Br)c(O)c(Br)c2)no1

HCID136139598

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(OC(F)(F)F)c1)c1nc(-c2cc(Br)c(O)c(Br)c2)no1

HCID135870516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46d7f5327cda41bcaf46ad84e2ad3d3e
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:17][c:18]1[cH:19][c:20](-[c:26]2[n:27][o:28][c:29]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[n:30]2)[cH:21][c:22]([Br:25])[c:23]1[OH:24].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[F:5][C:6]([O:7][c:8]1[cH:9][c:10]([NH2:11])[cH:12][cH:13][cH:14]1)([F:15])[F:16].[OH2:36]>>[F:5][C:6]([O:7][c:8]1[cH:9][c:10]([NH:11][C:31]([c:29]2[o:28][n:27][c:26](-[c:20]3[cH:19][c:18]([Br:17])[c:23]([OH:24])[c:22]([Br:25])[cH:21]3)[n:30]2)=[O:32])[cH:12][cH:13][cH:14]1)([F:15])[F:16]