Water → 3-[7-(2-aminoethoxy)-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl]-1-[(cyclopropylmethyl)amino]-4-hydroxyquinolin-2(1H)-one

HRID 114737Notes

Reaction equation

HRID 114737 reaction equation
[CH:1]1([CH2:4][NH:5][n:6]2[c:7](=[O:33])[c:8]([C:17]3=[N:18][S:19](=[O:31])(=[O:32])[c:20]4[c:21]([cH:23][cH:24][c:25]([O:27][CH2:28][C:29]#[N:30])[cH:26]4)[NH:22]3)[c:9]([OH:16])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[CH2:2][CH2:3]1.[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH2:39]>>[CH:1]1([CH2:4][NH:5][n:6]2[c:7](=[O:33])[c:8]([C:17]3=[N:18][S:19](=[O:31])(=[O:32])[c:20]4[c:21]([cH:23][cH:24][c:25]([O:27][CH2:28][CH2:29][NH2:30])[cH:26]4)[NH:22]3)[c:9]([OH:16])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[CH2:2][CH2:3]1

Participants

4

Reactant 3

HCID 962WaterHCID 8028TetrahydrofuranHCID 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 1363584273-[7-(2-aminoethoxy)-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl]-1-[(cyclopropylmethyl)amino]-4-hydroxyquinolin-2(1H)-one

Sources & evidence

ORD record
ord-9ce13ca07553443f8de2e2ae1031fca7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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