Hydrochloric Acid → N-Cyclopropyl-4-methyl-3-[3-[[1-methyl-1-[2-[2-(1-pyrrolidinyl)ethoxy]phenyl]ethyl]amino]-2-oxo-1(2H)-pyrazinyl]-benzamide

HRID 289434Notes

Reaction equation

HRID 289434 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[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:40][CH2:41][CH2:42][N:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[Cl:53][CH2:54][CH2:55][N:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[ClH:32].[ClH:39].[Cs+:37].[Cs+:38]>>[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][CH2:41][CH2:42][N:43]5[CH2:44][CH2:45][CH2:46][CH2:47]5)[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

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 816691-(2-Chloroethyl)pyrrolidine2×HCID 104967Cesium cation2×HCID 66686301N-cyclopropyl-3-(3-(2-(2-hydroxyphenyl)propan-2-ylamino)-2-oxopyrazin-1(2H)-yl)-4-methylbenzamide

Product 1

HCID 66686303N-Cyclopropyl-4-methyl-3-[3-[[1-methyl-1-[2-[2-(1-pyrrolidinyl)ethoxy]phenyl]ethyl]amino]-2-oxo-1(2H)-pyrazinyl]-benzamide

Sources & evidence

ORD record
ord-c482936e8c5c4b589697db79a6bba87d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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