Potassium Cation → Benzyl 2-(2-(2-(4-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-3-oxo-3,4-dihydropyrazin-2-ylamino)propan-2-yl)phenoxy)ethyl(methyl)carbamate

HRID 313206Notes

Reaction equation

HRID 313206 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:53][C:54]#[N:55].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[n:13]3[c:14](=[O:30])[c:15]([NH:19][C:20]([CH3:21])([CH3:22])[c:23]4[c:24]([OH:29])[cH:25][cH:26][cH:27][cH:28]4)[n:16][cH:17][cH:18]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:31])[CH2:2][CH2:3]1.[Cl:38][CH2:39][CH2:40][N:41]([C:42]([O:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)=[O:51])[CH3:52].[K+:36].[K+:37]>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[n:13]3[c:14](=[O:30])[c:15]([NH:19][C:20]([CH3:21])([CH3:22])[c:23]4[c:24]([O:29][CH2:39][CH2:40][N:41]([C:42]([O:43][CH2:44][c:45]5[cH:46][cH:47][cH:48][cH:49][cH:50]5)=[O:51])[CH3:52])[cH:25][cH:26][cH:27][cH:28]4)[n:16][cH:17][cH:18]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:31])[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 13592063Benzyl (2-chloroethyl)methylcarbamateHCID 66686301N-cyclopropyl-3-(3-(2-(2-hydroxyphenyl)propan-2-ylamino)-2-oxopyrazin-1(2H)-yl)-4-methylbenzamide

Product 1

HCID 66690281Benzyl 2-(2-(2-(4-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-3-oxo-3,4-dihydropyrazin-2-ylamino)propan-2-yl)phenoxy)ethyl(methyl)carbamate

Sources & evidence

ORD record
ord-1069ace5bbff46968c222eec67d4cb51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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