Hydrochloric Acid → HCID 59506987, compound

HRID 1550285Notes

Reaction equation

HRID 1550285 reaction equation
[C:52](=[O:53])([O-:54])[OH:55].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[n:9][c:10]([N:15]([c:16]3[cH:17][c:18]([NH:22][C:23]([c:24]4[cH:25][c:26]([C:30]([CH3:31])([CH3:32])[C:33]#[N:34])[cH:27][cH:28][cH:29]4)=[O:35])[cH:19][cH:20][cH:21]3)[CH3:36])[n:11][cH:12][c:13]2[n:14]1.[ClH:44].[F:45][CH:46]1[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]1.[Na+:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[s:7][c:8]2[n:9][c:10]([N:15]([c:16]3[cH:17][c:18]([NH:22][C:23]([c:24]4[cH:25][c:26]([C:30]([CH3:31])([CH3:32])[C:33]#[N:34])[cH:27][cH:28][cH:29]4)=[O:35])[cH:19][cH:20][cH:21]3)[CH3:36])[n:11][cH:12][c:13]2[n:14]1)[N:49]1[CH2:48][CH2:47][CH:46]([F:45])[CH2:51][CH2:50]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 27591594-FluoropiperidineHCID 59507038HCID 59507038, compound

Product 1

HCID 59506987HCID 59506987, compound

Sources & evidence

ORD record
ord-72ca343683a644febcb37d8e2cc9121b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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