HRID2350560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(CO)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(CC(O)(c2ccc(-c3ccc(F)cn3)cc2)C(F)F)n1

HCID68668071

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CO)Cc1c[nH]c(CC(O)(c2ccc(-c3ccc(F)cn3)cc2)C(F)F)n1

HCID178450416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73c47c12d7a44ad1888c99fc6323b326
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:57][OH:58].[ClH:1].[F:8][CH:9]([C:10]([CH2:11][c:12]1[n:13]([C:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:14][c:15]([CH2:17][C:18]([CH2:19][OH:20])([CH3:21])[CH3:22])[n:16]1)([OH:42])[c:43]1[cH:44][cH:45][c:46](-[c:49]2[n:50][cH:51][c:52]([F:55])[cH:53][cH:54]2)[cH:47][cH:48]1)[F:56].[O:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1>>[F:8][CH:9]([C:10]([CH2:11][c:12]1[nH:13][cH:14][c:15]([CH2:17][C:18]([CH2:19][OH:20])([CH3:21])[CH3:22])[n:16]1)([OH:42])[c:43]1[cH:44][cH:45][c:46](-[c:49]2[n:50][cH:51][c:52]([F:55])[cH:53][cH:54]2)[cH:47][cH:48]1)[F:56]