Water → Citric Acid

HRID 685443Notes

Reaction equation

HRID 685443 reaction equation
[C:44]([CH2:45][C:46]([OH:47])([C:48](=[O:49])[O-:50])[CH2:51][C:52](=[O:53])[O-:54])(=[O:55])[O-:56].[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][NH:11][CH3:12])[CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][CH:18]([N:21]3[C:22](=[O:27])[NH:23][CH2:24][CH2:25][CH2:26]3)[CH2:19][CH2:20]2)[cH:5][cH:6][c:7]1[Cl:8].[N+:28](=[O:29])([O-:30])[c:31]1[cH:32][c:33]2[cH:34][cH:35][cH:36][c:37]([C:41](=[O:42])[Cl:43])[c:38]2[cH:39][cH:40]1.[OH2:57]>>[C:44]([CH2:45][C:46]([OH:47])([C:48](=[O:49])[OH:50])[CH2:51][C:52](=[O:53])[OH:54])(=[O:55])[OH:56].[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][N:11]([CH3:12])[C:41]([c:37]2[cH:36][cH:35][cH:34][c:33]3[cH:32][c:31]([N+:28](=[O:29])[O-:30])[cH:40][cH:39][c:38]32)=[O:42])[CH2:13][CH2:14][N:15]2[CH2:16][CH2:17][CH:18]([N:21]3[C:22](=[O:27])[NH:23][CH2:24][CH2:25][CH2:26]3)[CH2:19][CH2:20]2)[cH:5][cH:6][c:7]1[Cl:8]

Participants

6

Reactant 4

HCID 962WaterHCID 31348CitrateHCID 106812736-Nitronaphthalene-1-carbonyl chlorideHCID 221375791-[1-[3-(3,4-Dichlorophenyl)-4-(methylamino)butyl]piperidin-4-yl]-1,3-diazinan-2-one

Product 2

HCID 311Citric AcidHCID 22622267N-[2-(3,4-dichlorophenyl)-4-[4-(2-oxo-1,3-diazinan-1-yl)piperidin-1-yl]butyl]-N-methyl-6-nitronaphthalene-1-carboxamide

Sources & evidence

ORD record
ord-0b299cf247ca458d9b55b845b9c453ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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