Hydrochloric Acid → HCID 13377054, compound

HRID 154888Notes

Reaction equation

HRID 154888 reaction equation
[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[ClH:26].[F:1][c:2]1[c:3]([N:20]2[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]2)[c:4]2[c:13]3[n:8]([cH:9][c:10]([C:16](=[O:17])[OH:18])[c:11](=[O:15])[c:12]3[cH:14]1)[CH:7]([CH3:19])[CH2:6][CH2:5]2.[N+:27](=[O:28])([O-:29])[c:30]1[cH:31][cH:32][c:33]([CH2:34][Br:35])[cH:36][cH:37]1>>[F:1][c:2]1[c:3]([N:20]2[CH2:21][CH2:22][N:23]([CH2:34][c:33]3[cH:32][cH:31][c:30]([N+:27](=[O:28])[O-:29])[cH:37][cH:36]3)[CH2:24][CH2:25]2)[c:4]2[c:13]3[n:8]([cH:9][c:10]([C:16](=[O:17])[OH:18])[c:11](=[O:15])[c:12]3[cH:14]1)[CH:7]([CH3:19])[CH2:6][CH2:5]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 660114-Nitrobenzyl bromideHCID 15571787HCID 15571787, compound

Product 1

HCID 13377054HCID 13377054, compound

Sources & evidence

ORD record
ord-f5cd364573434d8a98ddd24659769f47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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