HRID142461

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

HCID12002825

3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline

C11H10F3N3

结构：CC(C)(C)[Si](Oc1ccc2c(C(=O)O)cccc2c1)(c1ccccc1)c1ccccc1

HCID68591503

未命名化合物

PRODUCTS

生成物

结构：Cc1cn(-c2cc(NC(=O)c3cccc4cc(O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)ccc34)cc(C(F)(F)F)c2)cn1

HCID68591062

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec6710d5476a406ba56c1e241aa67f4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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