HRID1535942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8304

Tripropan-2-yl phosphite

C9H21O3P

HCID31374

Dimethylacetamide

C4H9NO

结构：Cc1c(-c2nc3c(n2O)-c2ccncc2Nc2ncccc2-3)c(C(F)F)nn1C1CCCCO1

HCID66887161

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2nc3c([nH]2)-c2ccncc2Nc2ncccc2-3)c(C(F)F)nn1C1CCCCO1

HCID66887076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4df36b7b1b614a729f1a2dee5202bf6b
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

[CH3:35][N:36]([CH3:37])[C:38](=[O:39])[CH3:40].[F:1][CH:2]([c:3]1[n:4][n:5]([CH:28]2[O:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[c:6]([CH3:27])[c:7]1-[c:8]1[n:9]([OH:26])[c:10]2[c:11]([n:25]1)-[c:12]1[c:13]([n:21][cH:22][cH:23][cH:24]1)[NH:14][c:15]1[c:16]-2[cH:17][cH:18][n:19][cH:20]1)[F:34].[OH2:54].[P:41]([O:42][CH:43]([CH3:44])[CH3:45])([O:46][CH:47]([CH3:48])[CH3:49])[O:50][CH:51]([CH3:52])[CH3:53]>>[F:1][CH:2]([c:3]1[n:4][n:5]([CH:28]2[O:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[c:6]([CH3:27])[c:7]1-[c:8]1[nH:9][c:10]2[c:11]([n:25]1)-[c:12]1[c:13]([n:21][cH:22][cH:23][cH:24]1)[NH:14][c:15]1[c:16]-2[cH:17][cH:18][n:19][cH:20]1)[F:34]