Hydrochloric Acid → HCID 91076042, compound

HRID 2126703Notes

Reaction equation

HRID 2126703 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][cH:10][c:11]([CH:20]=[CH:21][C:22](=[O:23])[OH:24])[c:12]1-[c:13]1[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]1.[CH2:25]([n:26]1[cH:27][c:28]([CH:29]=[CH:30][C:31]([OH:32])=[O:33])[c:34](-[c:35]2[cH:36][cH:37][c:38]([F:39])[cH:40][cH:41]2)[n:42]1)[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[ClH:49].[ClH:77].[NH2:61][c:62]1[cH:63][cH:64][c:65]([CH2:66][P:67]([O:68][CH2:69][CH3:70])([O:71][CH2:72][CH3:73])=[O:74])[cH:75][cH:76]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][cH:10][c:11]([CH:20]=[CH:21][C:22](=[O:23])[NH:61][c:62]2[cH:63][cH:64][c:65]([CH2:66][P:67]([O:68][CH2:69][CH3:70])([O:71][CH2:72][CH3:73])=[O:74])[cH:75][cH:76]2)[c:12]1-[c:13]1[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 88358Diethyl p-aminobenzylphosphonateHCID 69205603HCID 69205603, compoundHCID 69208849HCID 69208849, compound

Product 1

HCID 91076042HCID 91076042, compound

Sources & evidence

ORD record
ord-0d4b5c0d128647f3b9738e7944634d91
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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