HRID284533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID849421

R-56109

C12H13FN2O

HCID72465823

未命名化合物

PRODUCTS

生成物

结构：OC(COc1cccc(-c2noc3ncccc23)c1)CN1CCC(c2noc3cc(F)ccc23)CC1

HCID69419239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-283fb7a7a788495fbf389181e8fe5ffe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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