Hydrochloric Acid → 8-[2,6-Dichloro-3-[4-[4-(methylcarbamoyl)cinnamoyl]piperazine-1-carbonyl]benzyloxy]-2-methylquinoline

HRID 2347851Notes

Reaction equation

HRID 2347851 reaction equation
[CH2:57]([N:58]=[C:59]=[N:60][CH2:61][CH2:62][CH2:63][N:64]([CH3:65])[CH3:66])[CH3:67].[CH3:32][NH:33][C:34](=[O:35])[c:36]1[cH:37][cH:38][c:39]([CH:40]=[CH:41][C:42](=[O:43])[OH:44])[cH:45][cH:46]1.[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[Cl:3][c:4]1[c:5]([CH2:6][O:7][c:8]2[cH:9][cH:10][cH:11][c:12]3[cH:13][cH:14][c:15]([CH3:18])[n:16][c:17]23)[c:19]([Cl:31])[cH:20][cH:21][c:22]1[C:23](=[O:24])[N:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[ClH:1].[ClH:2].[OH2:73].[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[Cl:3][c:4]1[c:5]([CH2:6][O:7][c:8]2[cH:9][cH:10][cH:11][c:12]3[cH:13][cH:14][c:15]([CH3:18])[n:16][c:17]23)[c:19]([Cl:31])[cH:20][cH:21][c:22]1[C:23](=[O:24])[N:25]1[CH2:26][CH2:27][N:28]([C:42]([CH:41]=[CH:40][c:39]2[cH:38][cH:37][c:36]([C:34]([NH:33][CH3:32])=[O:35])[cH:46][cH:45]2)=[O:43])[CH2:29][CH2:30]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 18321963[2,4-Dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-piperazin-1-ylmethanoneHCID 534120223-[4-(Methylcarbamoyl)phenyl]prop-2-enoic acid

Product 1

HCID 539472038-[2,6-Dichloro-3-[4-[4-(methylcarbamoyl)cinnamoyl]piperazine-1-carbonyl]benzyloxy]-2-methylquinoline

Sources & evidence

ORD record
ord-5d83c36f84fd4693a7251af184266e0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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