HRID188073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID2736893

2,2-Difluoro-2H-1,3-benzodioxol-5-amine

C7H5F2NO2

结构：Cc1ccc2c(Cl)nccc2c1Nc1ncccc1-c1ncnc2[nH]ncc12

HCID59627378

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(Nc3ccc4c(c3)OC(F)(F)O4)nccc2c1Nc1ncccc1-c1ncnc2[nH]ncc12

HCID68779395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ab7e0c8be6b44e99e940a4d21c7e9ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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