Water → N-[1-(6-tert-butylpyridin-3-yl)ethyl]-2-(7-cyano-1H-benzimidazol-1-yl)acetamide

HRID 689301Notes

Reaction equation

HRID 689301 reaction equation
[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[cH:16][cH:17][c:18]([CH:21]([CH3:22])[NH2:23])[cH:19][n:20]1.[C:24](#[N:25])[c:26]1[cH:27][cH:28][cH:29][c:30]2[c:31]1[n:32]([CH2:35][C:36](=[O:37])[OH:38])[cH:33][n:34]2.[CH3:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[C:8]([NH2:9])=[O:10].[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[OH2:72].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[cH:16][cH:17][c:18]([CH:21]([CH3:22])[NH:23][C:36]([CH2:35][n:32]2[c:31]3[c:26]([C:24]#[N:25])[cH:27][cH:28][cH:29][c:30]3[n:34][cH:33]2)=[O:37])[cH:19][n:20]1

Participants

8

Reactant 7

HCID 962WaterHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 11195002(7-Cyano-1H-benzimidazol-1-yl)acetic acidHCID 122437052-MethylnicotinamideHCID 67500288[1-(6-Tert-butylpyridin-3-yl)ethyl]amine

Product 1

HCID 23633972N-[1-(6-tert-butylpyridin-3-yl)ethyl]-2-(7-cyano-1H-benzimidazol-1-yl)acetamide

Sources & evidence

ORD record
ord-98c2313e4b6b464ca3d788c3bce04b9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…