Hydrochloric Acid → methyl 2-[(3-{1-[(cyclopropylmethyl)amino]-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl}-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl)oxy]ethanimidoate

HRID 213690Notes

Reaction equation

HRID 213690 reaction equation
[CH3:35][OH:36].[CH:2]1([CH2:5][NH:6][n:7]2[c:8](=[O:34])[c:9]([C:18]3=[N:19][S:20](=[O:32])(=[O:33])[c:21]4[c:22]([cH:24][cH:25][c:26]([O:28][CH2:29][C:30]#[N:31])[cH:27]4)[NH:23]3)[c:10]([OH:17])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[CH2:3][CH2:4]1.[ClH:1]>>[CH:2]1([CH2:5][NH:6][n:7]2[c:8](=[O:34])[c:9]([C:18]3=[N:19][S:20](=[O:32])(=[O:33])[c:21]4[c:22]([cH:24][cH:25][c:26]([O:28][CH2:29][C:30](=[NH:31])[O:36][CH3:35])[cH:27]4)[NH:23]3)[c:10]([OH:17])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[CH2:3][CH2:4]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 887MethanolHCID 136358425[(3-{1-[(cyclopropylmethyl)amino]-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl}-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl)oxy]acetonitrile

Product 1

HCID 136358426methyl 2-[(3-{1-[(cyclopropylmethyl)amino]-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl}-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl)oxy]ethanimidoate

Sources & evidence

ORD record
ord-e45fbbfe09bc4493aa76da3ac6d8b7f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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