HRID316914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6422

未命名化合物

结构：NC1(c2ccc(-c3c(-c4ccccc4)oc4ccc(F)cc4c3=O)cc2)CCC1

HCID51030598

未命名化合物

结构：COc1ccc2c(=O)c(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)oc2c1-c1cn[nH]c1

HCID67067864

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(=O)c(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)oc2c1-c1cn[nH]c1

HCID51030234

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13f8fb8b899141988420a76cb16577f4
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

[C:30]([O:31][C:32](=[O:33])[NH:36][C:37]1([c:41]2[cH:42][cH:43][c:44](-[c:47]3[c:48](-[c:65]4[cH:66][cH:67][cH:68][cH:69][cH:70]4)[o:49][c:50]4[c:51](-[c:60]5[cH:61][n:62][nH:63][cH:64]5)[c:52]([O:58][CH3:59])[cH:53][cH:54][c:55]4[c:56]3=[O:57])[cH:45][cH:46]2)[CH2:38][CH2:39][CH2:40]1)([CH3:34])([CH3:35])[CH3:71].[CH3:79][OH:80].[ClH:82].[F:72][C:73]([F:74])([F:75])[C:76]([OH:77])=[O:78].[NH2:1][C:2]1([c:3]2[cH:4][cH:5][c:6](-[c:7]3[c:8](=[O:9])[c:10]4[c:11]([cH:12][cH:13][c:14]([F:15])[cH:16]4)[o:17][c:18]3-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:25][cH:26]2)[CH2:27][CH2:28][CH2:29]1.[OH2:81]>>[NH2:36][C:37]1([c:41]2[cH:42][cH:43][c:44](-[c:47]3[c:48](-[c:65]4[cH:66][cH:67][cH:68][cH:69][cH:70]4)[o:49][c:50]4[c:51](-[c:60]5[cH:61][nH:62][n:63][cH:64]5)[c:52]([O:58][CH3:59])[cH:53][cH:54][c:55]4[c:56]3=[O:57])[cH:45][cH:46]2)[CH2:38][CH2:39][CH2:40]1