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Water → N-tert-Butyl-3-((4-(4-(3-isobutylureido)-3-(trifluoromethoxy)benzoyl)piperazin-1-yl)methyl)benzamide

HRID 159082
Notes
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Reaction equation

HRID 159082 reaction equation
[CH2:49]([CH:50]([CH3:51])[CH3:52])[NH2:53].[Cl:35][C:36](=[O:37])[OH:38].[Cl:54][CH2:55][Cl:56].[N+:39]([c:40]1[cH:41][cH:42][c:43]([OH:44])[cH:45][cH:46]1)([O-:47])=[O:48].[NH2:1][c:2]1[c:3]([O:30][C:31]([F:32])([F:33])[F:34])[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][c:17]([C:18](=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[cH:28][cH:29]1.[OH2:57]>>[NH:1]([c:2]1[c:3]([O:30][C:31]([F:32])([F:33])[F:34])[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:15]3[cH:16][c:17]([C:18](=[O:19])[NH:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[cH:28][cH:29]1)[C:36](=[O:38])[NH:53][CH2:49][CH:50]([CH3:51])[CH3:52]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 962WaterHCID 9804-NitrophenolHCID 6344DichloromethaneHCID 6558IsobutylamineHCID 164602Chloroformic acidHCID 579176403-((4-(4-Amino-3-(trifluoromethoxy)benzoyl)piperazin-1-yl)methyl)-N-tert-butyl-benzamide

Product 1

HCID 57917708
N-tert-Butyl-3-((4-(4-(3-isobutylureido)-3-(trifluoromethoxy)benzoyl)piperazin-1-yl)methyl)benzamide

Sources & evidence

ORD record
ord-14961b7e08aa42eeb49acc85ed5b1319
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