HRID154365

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

HCID51030598

未命名化合物

HCID67067829

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

HCID51030135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-411cc195fb2d4ac4af9fb870c14b3496
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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:64]4[cH:65][cH:66][cH:67][cH:68][cH:69]4)[o:49][c:50]4[c:51]([N:58]5[CH2:59][CH2:60][O:61][CH2:62][CH2:63]5)[cH:52][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])[CH3:70].[CH3:79][OH:80].[ClH:78].[F:71][C:72]([F:73])([F:74])[C:75]([OH:76])=[O:77].[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]>>[ClH:78].[NH2:36][C:37]1([c:41]2[cH:42][cH:43][c:44](-[c:47]3[c:48](-[c:64]4[cH:65][cH:66][cH:67][cH:68][cH:69]4)[o:49][c:50]4[c:51]([N:58]5[CH2:59][CH2:60][O:61][CH2:62][CH2:63]5)[cH:52][cH:53][cH:54][c:55]4[c:56]3=[O:57])[cH:45][cH:46]2)[CH2:38][CH2:39][CH2:40]1