Ammonium → Quinoline-6-carboxylic acid (2-benzyl-2H-tetrazol-5-ylmethyl)-amide

HRID 1551537Notes

Reaction equation

HRID 1551537 reaction equation
[Br:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[C:31](=[O:32])([O-:33])[O-:34].[C:7]([CH2:8][NH:9][C:10]([c:11]1[cH:12][c:13]2[c:14]([cH:15][cH:16]1)[n:17][cH:18][cH:19][cH:20]2)=[O:21])#[N:22].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[Cl-:5].[K+:35].[K+:36].[N-:2]=[N+:3]=[N-:4].[NH4+:6].[Na+:1].[OH2:67].[n:37]1[nH:38][n:39][n:40][c:41]1[CH2:42][NH:43][C:44](=[O:45])[c:46]1[cH:47][c:48]2[cH:49][cH:50][cH:51][n:52][c:53]2[cH:54][cH:55]1>>[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[n:38]1[n:37][c:41]([CH2:42][NH:43][C:44](=[O:45])[c:46]2[cH:47][c:48]3[cH:49][cH:50][cH:51][n:52][c:53]3[cH:54][cH:55]2)[n:40][n:39]1

Participants

13

Reactant 12

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 7498Benzyl BromideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 33558AzideHCID 55126745quinoline-6-carboxylic acid (2H-tetrazol-5-ylmethyl)amideHCID 58388078Quinoline-6-carboxylic acid cyanomethyl-amide

Product 1

HCID 58875321Quinoline-6-carboxylic acid (2-benzyl-2H-tetrazol-5-ylmethyl)-amide

Sources & evidence

ORD record
ord-ee994e8350bc47059c1e140d7068a117
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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