Ammonium → [(8-amino-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

HRID 213148Notes

Reaction equation

HRID 213148 reaction equation
[CH3:45][OH:46].[CH:1]1([CH2:4][NH:5][n:6]2[c:7](=[O:36])[c:8]([C:17]3=[N:18][S:19](=[O:34])(=[O:35])[c:20]4[c:21]([cH:23][cH:24][c:25]([O:30][CH2:31][C:32]#[N:33])[c:26]4[N+:27]([O-:28])=[O:29])[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.[Cl-:37].[Fe:47].[NH4+:38].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:39]>>[CH:1]1([CH2:4][NH:5][n:6]2[c:7](=[O:36])[c:8]([C:17]3=[N:18][S:19](=[O:34])(=[O:35])[c:20]4[c:21]([cH:23][cH:24][c:25]([O:30][CH2:31][C:32]#[N:33])[c:26]4[NH2:27])[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

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 23925IronHCID 136358422[(3-{1-[(cyclopropylmethyl)amino]-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl}-8-nitro-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl)oxy]acetonitrile

Product 1

HCID 136358500[(8-amino-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

Sources & evidence

ORD record
ord-ea79995422e64c91aef2da7206f7e6eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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