Hydrochloric Acid → Hydrochloric Acid

HRID 1543645Notes

Reaction equation

HRID 1543645 reaction equation
[CH3:46][CH2:47][OH:48].[CH:1]1([n:4]2[cH:5][c:6]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[c:7](=[O:37])[c:8]3[cH:9][c:10]([F:36])[c:11]([C:15]#[C:16][c:17]4[c:18]([O:34][CH3:35])[c:19]([O:32][CH3:33])[cH:20][c:21]([CH2:23][c:24]5[c:25]([NH2:31])[n:26][c:27]([NH2:30])[n:28][cH:29]5)[cH:22]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[ClH:45].[Na+:44].[OH-:43]>>[CH:1]1([n:4]2[cH:5][c:6]([C:38](=[O:39])[OH:40])[c:7](=[O:37])[c:8]3[cH:9][c:10]([F:36])[c:11]([C:15]#[C:16][c:17]4[c:18]([O:34][CH3:35])[c:19]([O:32][CH3:33])[cH:20][c:21]([CH2:23][c:24]5[c:25]([NH2:31])[n:26][c:27]([NH2:30])[n:28][cH:29]5)[cH:22]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[ClH:45]

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 19081771Ethyl 1-cyclopropyl-7-[5-(2,4-diamino-pyrimidin-5-ylmethyl)-2,3-dimethoxy-phenylethynyl]-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 190816491-Cyclopropyl-7-[2-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]ethynyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-5e00c64a977a4b82a12b3ee829b04f33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…