HRID1117703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID3280088

未命名化合物

HCID11073377

(1-methyl-1H-1,2,4-triazol-5-yl)methanol

C4H7N3O

HCID15486176

未命名化合物

PRODUCTS

生成物

结构：Cn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1Br

HCID15486177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ace768045e9d4bab8e7367fa293de4ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:26][c:27]1[cH:28][c:29]2[n:30]([n:31][c:32]1[Cl:33])[c:34](-[c:37]1[c:38]([F:43])[cH:39][cH:40][cH:41][cH:42]1)[n:35][n:36]2.[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[CH3:18][n:19]1[n:20][cH:21][n:22][c:23]1[CH2:24][OH:25].[CH3:1][Si:2]([N-:3][Si:4]([CH3:5])([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl-:49].[K+:10].[NH4+:50]>>[CH3:18][n:19]1[n:20][cH:21][n:22][c:23]1[CH2:24][O:25][c:32]1[c:27]([Br:26])[cH:28][c:29]2[n:30]([n:31]1)[c:34](-[c:37]1[c:38]([F:43])[cH:39][cH:40][cH:41][cH:42]1)[n:35][n:36]2