HRID97269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7375

3-(Trifluoromethyl)aniline

C7H6F3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)c1coc2cc(Oc3cc(COCc4ccccc4)ncn3)ccc12

HCID57556443

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(C(F)(F)F)c1)c1coc2cc(Oc3cc(COCc4ccccc4)ncn3)ccc12

HCID24762957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07ec071c8e514c8a813f3637e0e13055
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:12][O:13][C:14](=[O:15])[c:16]1[cH:17][o:18][c:19]2[c:20]1[cH:21][cH:22][c:23]([O:25][c:26]1[n:27][cH:28][n:29][c:30]([CH2:32][O:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:31]1)[cH:24]2.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[Cl-:41].[F:1][C:2]([c:3]1[cH:4][c:5]([NH2:6])[cH:7][cH:8][cH:9]1)([F:10])[F:11].[NH4+:42].[OH2:61]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:6][C:14](=[O:13])[c:16]2[cH:17][o:18][c:19]3[c:20]2[cH:21][cH:22][c:23]([O:25][c:26]2[n:27][cH:28][n:29][c:30]([CH2:32][O:33][CH2:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:31]2)[cH:24]3)[cH:7][cH:8][cH:9]1)([F:10])[F:11]