Water → N-tert-Butyl-3-((4-(2-chloro-4-(3-isobutylureido)benzoyl)piperazin-1-yl)methyl)benzamide

HRID 201392

Reaction equation

HRID 201392 reaction equation
[CH2:45]([CH:46]([CH3:47])[CH3:48])[NH2:49].[Cl:31][C:32](=[O:33])[OH:34].[Cl:50][CH2:51][Cl:52].[N+:35]([c:36]1[cH:37][cH:38][c:39]([OH:40])[cH:41][cH:42]1)([O-:43])=[O:44].[NH2:1][c:2]1[cH:3][c:4]([Cl:30])[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.[OH2:53]>>[NH:1]([c:2]1[cH:3][c:4]([Cl:30])[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:32](=[O:34])[NH:49][CH2:45][CH:46]([CH3:47])[CH3:48]

Participants

7

Reactant 6

HCID 962WaterHCID 9804-NitrophenolHCID 6344DichloromethaneHCID 6558IsobutylamineHCID 164602Chloroformic acidHCID 579176443-((4-(4-Amino-2-chlorobenzoyl)piperazin-1-yl)methyl)-N-tert-butylbenzamide

Product 1

HCID 57917671N-tert-Butyl-3-((4-(2-chloro-4-(3-isobutylureido)benzoyl)piperazin-1-yl)methyl)benzamide

Sources & evidence

ORD record
ord-37b5b4b043a34c86b81d947329132461
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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