Phosphonic acid → HCID 22245747, compound

HRID 2322145Notes

Reaction equation

HRID 2322145 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([CH3:23])[c:11]([CH3:22])[c:12]([NH:13][CH2:14][C:15](=[O:16])[OH:17])[c:18]([CH3:21])[c:19]1[CH3:20].[C:45](=[O:46])([O-:47])[OH:48].[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[N:31]1[CH2:32][CH2:33][CH:34]([NH2:37])[CH2:35][CH2:36]1.[CH2:50]([Cl:51])[Cl:52].[CH3:42][CH2:43][CH3:44].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[Na+:49].[PH:38]([OH:39])([OH:40])=[O:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([CH3:23])[c:11]([CH3:22])[c:12]([NH:13][CH2:14][C:15](=[O:17])[NH:37][CH:34]2[CH2:33][CH2:32][N:31]([CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:36][CH2:35]2)[c:18]([CH3:21])[c:19]1[CH3:20]

Participants

9

Reactant 8

HCID 407Phosphonic acidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6334PropaneHCID 6344DichloromethaneHCID 8471TriethylamineHCID 4158521-Benzyl-4-piperidylamineHCID 22048552HCID 22048552, compound

Product 1

HCID 22245747HCID 22245747, compound

Sources & evidence

ORD record
ord-b94eb30b2bbc413cb8303066edb24bc0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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