HRID1563107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID75377

alpha,alpha,alpha-4-Tetrafluoro-m-toluidine

C7H5F4N

HCID57556449

未命名化合物

PRODUCTS

生成物

结构：Nc1nccc(Oc2ccc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)coc3c2)n1

HCID24762795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b454063ee894f9f91ab7ba9551b8f90
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

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