Hydrochloric Acid → HCID 59625916, compound

HRID 309297Notes

Reaction equation

HRID 309297 reaction equation
[Br:1][c:2]1[s:3][c:4]2[cH:5][c:6]([C:7]([O:8][CH2:9][CH3:10])=[O:11])[cH:12][cH:13][c:14]2[n:15]1.[C:24](=[O:25])([O-:26])[O-:27].[CH3:53][C:54]#[N:55].[ClH:52].[Cs+:28].[Cs+:29].[F:16][C:17]1([F:18])[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]1.[F:30][C:31]1([F:51])[CH2:32][CH2:33][N:34]([c:37]2[s:38][c:39]3[c:40]([n:41]2)[cH:42][cH:43][c:44]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:45]3)[CH2:35][CH2:36]1.[OH2:56]>>[F:30][C:31]1([F:51])[CH2:32][CH2:33][N:34]([c:37]2[s:38][c:39]3[c:40]([n:41]2)[cH:42][cH:43][c:44]([C:46](=[O:47])[OH:48])[cH:45]3)[CH2:35][CH2:36]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 27583524,4-DifluoropiperidineHCID 12067225Ethyl 2-bromo-6-benzothiazolecarboxylateHCID 59625687HCID 59625687, compound

Product 1

HCID 59625916HCID 59625916, compound

Sources & evidence

ORD record
ord-24e3a906347f4cc3af029e7f9797c10f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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