Benzene → 1-(2-Phenanthrenylcarbonyl)-2,3-piperazinedicarboxylic acid

HRID 692269Notes

Reaction equation

HRID 692269 reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]2[cH:7][cH:8][c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[c:15]2[cH:16][cH:17]1.[Cl-:36].[ClH:37].[NH:22]1[CH:23]([C:31](=[O:32])[OH:33])[CH:24]([C:28](=[O:29])[OH:30])[NH:25][CH2:26][CH2:27]1.[Na+:35].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH-:34].[S:18]([Cl:19])([Cl:20])=[O:21].[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[C:1](=[O:2])([c:4]1[cH:5][c:6]2[cH:7][cH:8][c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[c:15]2[cH:16][cH:17]1)[N:22]1[CH:23]([C:31](=[O:32])[OH:33])[CH:24]([C:28](=[O:29])[OH:30])[NH:25][CH2:26][CH2:27]1

Participants

10

Reactant 9

HCID 241BenzeneHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 24386Thionyl ChlorideHCID 312751,4-DioxaneHCID 2809732,3-Piperazinedicarboxylic acidHCID 13234903Phenanthrene-2-carboxylic acid

Product 1

HCID 102930291-(2-Phenanthrenylcarbonyl)-2,3-piperazinedicarboxylic acid

Sources & evidence

ORD record
ord-2be05bb6749b45549eecbb8bb330a937
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…