Hydrochloric Acid → Hydrochloric Acid

HRID 2156637Notes

Reaction equation

HRID 2156637 reaction equation
[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][C:50]([Cl:51])=[O:52].[CH3:53][C:54]#[N:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[ClH:1].[ClH:2].[F:3][C:4]([c:5]1[cH:6][c:7]([N:15]([C:16](=[O:17])[N:18]([CH3:19])[CH:20]2[CH:21]([c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[CH2:22][N:23]([CH:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[CH2:24][CH2:25]2)[CH3:39])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:40])[F:41]>>[ClH:51].[F:3][C:4]([c:5]1[cH:6][c:7]([N:15]([C:16](=[O:17])[N:18]([CH3:19])[CH:20]2[CH:21]([c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[CH2:22][N:23]([CH:26]3[CH2:27][CH2:28][N:29]([C:50]([CH3:49])=[O:52])[CH2:30][CH2:31]3)[CH2:24][CH2:25]2)[CH3:39])[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)([F:40])[F:41]

Participants

8

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 6367Acetyl chlorideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 178485856HCID 178485856, compound

Product 2

HCID 313Hydrochloric AcidHCID 178473830HCID 178473830, compound

Sources & evidence

ORD record
ord-6297972e917345a987aca9bc15e83d5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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