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Acetic Acid → N-[2-hydroxy-5-[1-hydroxy-2-[2-[4-[[1-(4-piperidin-1-ylsulfonylphenyl)piperidin-4-yl]amino]phenyl]ethylamino]ethyl]phenyl]methanesulfonamide

HRID 164103
Notes
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Reaction equation

HRID 164103 reaction equation
[C:62]([BH3-:63])#[N:64].[CH3:1][O:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([NH:11][CH:12]2[CH2:13][CH2:14][N:15]([c:18]3[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[N:27]4[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]4)[cH:22][cH:23]3)[CH2:16][CH2:17]2)[cH:9][cH:10]1)[O:33][CH3:34].[CH3:42][C:43](=[O:44])[OH:45].[CH3:66][C:67]#[N:68].[CH3:69][OH:70].[Cl:37][Si:38]([Cl:39])([Cl:40])[CH3:41].[Cl:71][CH2:72][Cl:73].[I-:36].[NH2:46][CH2:47][CH:48]([OH:49])[c:50]1[cH:51][cH:52][c:53]([OH:61])[c:54]([NH:56][S:57](=[O:58])(=[O:59])[CH3:60])[cH:55]1.[Na+:35].[Na+:65]>>[CH2:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([NH:11][CH:12]2[CH2:13][CH2:14][N:15]([c:18]3[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[N:27]4[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]4)[cH:22][cH:23]3)[CH2:16][CH2:17]2)[cH:9][cH:10]1)[NH:46][CH2:47][CH:48]([OH:49])[c:50]1[cH:51][cH:52][c:53]([OH:61])[c:54]([NH:56][S:57](=[O:58])(=[O:59])[CH3:60])[cH:55]1
ParticipantsSources & evidenceReaction notes

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium Ion2×HCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6399TrichloromethylsilaneHCID 30165Iodide Ion
HCID 498716
Cyano-borohydride
HCID 9837752N-[5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl]methanesulphonamide
HCID 18173830N-[4-(2,2-Dimethoxyethyl)phenyl]-1-[4-(1-piperidinylsulfonyl)phenyl]-4-piperidinamine

Product 1

HCID 70009477N-[2-hydroxy-5-[1-hydroxy-2-[2-[4-[[1-(4-piperidin-1-ylsulfonylphenyl)piperidin-4-yl]amino]phenyl]ethylamino]ethyl]phenyl]methanesulfonamide

Sources & evidence

ORD record
ord-5f0e2b0f7cd84d04b61a16881f81bcfd
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