Acetonitrile → HCID 57770692, compound

HRID 180398Notes

Reaction equation

HRID 180398 reaction equation
[CH3:25][c:26]1[n:27][cH:28][c:29]([CH2:32][NH2:33])[n:30][cH:31]1.[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH3:55][C:56]#[N:57].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][cH:6][n:7][n:8]1-[c:9]1[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][c:16](-[c:18]2[n:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[cH:17]1.[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][cH:6][n:7][n:8]1-[c:9]1[cH:10][c:11]([C:12](=[O:13])[NH:33][CH2:32][c:29]2[cH:28][n:27][c:26]([CH3:25])[cH:31][n:30]2)[cH:15][c:16](-[c:18]2[n:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[cH:17]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 27564962-(Aminomethyl)-5-methylpyrazineHCID 577707683-(5-Isopropyl-[1,2,4]triazol-1-yl)-5-(5-methyl-pyridin-2-yl)-benzoic acid

Product 1

HCID 57770692HCID 57770692, compound

Sources & evidence

ORD record
ord-bac5c3ac8849450ca2c0746cb34fc724
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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