Hydrochloric Acid → 3,5-dichloro-N-(4-fluorobenzyl)-N-(3-((4-fluorobenzylamino)methyl)benzyl)-2-hydroxybenzamide

HRID 200550Notes

Reaction equation

HRID 200550 reaction equation
[CH3:13][CH2:14][N:15]=[C:16]=[N:17][CH2:18][CH2:19][CH2:20][N:21]([CH3:22])[CH3:23].[Cl:1][c:2]1[c:3]([OH:12])[c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([Cl:11])[cH:10]1.[ClH:24].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[c:25]1([CH2:41][NH:42][CH2:43][c:44]2[cH:45][cH:46][c:47]([F:50])[cH:48][cH:49]2)[cH:26][c:27]([CH2:31][NH:32][CH2:33][c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[cH:28][cH:29][cH:30]1>>[Cl:1][c:2]1[c:3]([OH:12])[c:4]([C:5](=[O:7])[N:32]([CH2:31][c:27]2[cH:26][c:25]([CH2:41][NH:42][CH2:43][c:44]3[cH:45][cH:46][c:47]([F:50])[cH:48][cH:49]3)[cH:30][cH:29][cH:28]2)[CH2:33][c:34]2[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]2)[cH:8][c:9]([Cl:11])[cH:10]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 94453,5-Dichlorosalicylic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 66616478(4-Fluoro-benzyl)-{3-[(4-fluoro-benzylamino)-methyl]-benzyl}-amine

Product 1

HCID 666164993,5-dichloro-N-(4-fluorobenzyl)-N-(3-((4-fluorobenzylamino)methyl)benzyl)-2-hydroxybenzamide

Sources & evidence

ORD record
ord-f1bd7f9085a44177abfbf4ea2bf1190d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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