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4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid → 4-{4-[6-(Cyclopropyl-methyl-amino)-pyridin-3-ylcarbamoyl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester

HRID 2333856
Notes
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Reaction equation

HRID 2333856 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[OH:22])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:35]([O:36][C:37]([N:38]1[CH2:39][CH2:40][N:41]([c:42]2[cH:43][cH:44][c:45]([C:46](=[O:47])[NH:48][c:49]3[cH:50][cH:51][cH:52][c:53]([C:54]([CH3:55])([CH3:56])[CH3:57])[cH:58]3)[cH:59][cH:60]2)[CH2:61][CH2:62]1)=[O:63])([CH3:64])([CH3:65])[CH3:66].[CH2:23]1[CH:24]([N:26]([c:27]2[n:28][cH:29][c:30]([NH2:33])[cH:31][cH:32]2)[CH3:34])[CH2:25]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([C:20](=[O:21])[NH:33][c:30]3[cH:29][n:28][c:27]([N:26]([CH:24]4[CH2:23][CH2:25]4)[CH3:34])[cH:32][cH:31]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1
ParticipantsSources & evidenceReaction notes

Participants

4

Reactant 3

HCID 27955084-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acidHCID 43264706N2-cyclopropyl-N2-methyl-pyridine-2,5-diamineHCID 593180174-[4-(3-Tert-butyl-phenylcarbamoyl)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 593181244-{4-[6-(Cyclopropyl-methyl-amino)-pyridin-3-ylcarbamoyl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-c79ecd1e579e40fa91ea6706086cc972
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes