Chloride → HCID 178443443, compound

HRID 1140452Notes

Reaction equation

HRID 1140452 reaction equation
[C:23]([P:24](=[O:25])([O:26][CH2:27][CH3:28])[O:29][CH2:30][CH3:31])#[N:32].[CH:1](=[O:2])[N:3]([CH:4]([CH:5]([C:6](=[O:7])[OH:8])[CH2:9][CH:10]([CH3:11])[CH3:12])[CH2:13][CH2:14][CH3:15])[O:16][CH:17]1[O:18][CH2:19][CH2:20][CH2:21][CH2:22]1.[Cl-:55].[ClH:33].[Na+:54].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[s:34]1[c:35]([NH:39][C:40]([CH:41]([CH2:42][CH2:43][CH2:44][NH:45][CH2:46][N:47]=[N:48][N+:49](=[O:50])[O-:51])[NH2:52])=[O:53])[n:36][cH:37][cH:38]1>>[CH:1](=[O:2])[N:3]([CH:4]([CH:5]([C:6](=[O:8])[NH:52][CH:41]([C:40]([NH:39][c:35]1[s:34][cH:38][cH:37][n:36]1)=[O:53])[CH2:42][CH2:43][CH2:44][NH:45][CH2:46][N:47]=[N:48][N+:49](=[O:50])[O-:51])[CH2:9][CH:10]([CH3:11])[CH3:12])[CH2:13][CH2:14][CH3:15])[O:16][CH:17]1[O:18][CH2:19][CH2:20][CH2:21][CH2:22]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 76257Diethyl cyanophosphonateHCID 21256833HCID 21256833, compoundHCID 173254956HCID 173254956, compound

Product 1

HCID 178443443HCID 178443443, compound

Sources & evidence

ORD record
ord-3458811ea42a4c87a3011cef41ebbdb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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