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1,3-Propanediamine → 5-[(3-amino-propylamino)-methyl]-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-benzamide

HRID 154144
Notes
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Reaction equation

HRID 154144 reaction equation
[BH4-:32].[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][OH:40].[F:1][c:2]1[c:3]([NH:18][c:19]2[c:20]([F:26])[cH:21][c:22]([I:25])[cH:23][cH:24]2)[c:4]([C:5](=[O:6])[NH:7][O:8][CH2:9][CH2:10][OH:11])[cH:12][c:13]([CH:16]=[O:17])[c:14]1[F:15].[NH2:27][CH2:28][CH2:29][CH2:30][NH2:31].[Na+:33]>>[F:1][c:2]1[c:3]([NH:18][c:19]2[c:20]([F:26])[cH:21][c:22]([I:25])[cH:23][cH:24]2)[c:4]([C:5](=[O:6])[NH:7][O:8][CH2:9][CH2:10][OH:11])[cH:12][c:13]([CH2:16][NH:31][CH2:30][CH2:29][CH2:28][NH2:27])[c:14]1[F:15]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 4281,3-PropanediamineHCID 887MethanolHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 231323883,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-formyl-N-(2-hydroxy-ethoxy)-benzamide

Product 1

HCID 59347991
5-[(3-amino-propylamino)-methyl]-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-benzamide

Sources & evidence

ORD record
ord-3b3ef83757834beebe332554d39d5dc0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes