Hydrochloric Acid → Hydrochloric Acid

HRID 301296Notes

Reaction equation

HRID 301296 reaction equation
[B:6]([O:7][CH:8]([CH3:9])[CH3:10])([O:11][CH:12]([CH3:13])[CH3:14])[O:15][CH:16]([CH3:17])[CH3:18].[Br:19][c:20]1[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[N:29]2[CH2:30][CH2:31][CH2:32][CH2:33]2)[cH:24][cH:25]1.[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:65][OH:66].[ClH:34].[NH2:41][c:42]1[c:43]([C:49](=[O:50])[NH:51][CH2:52][CH2:53][N:54]2[CH2:55][CH2:56][O:57][CH2:58][CH2:59]2)[n:44][c:45]([Br:48])[cH:46][n:47]1.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1>>[ClH:34].[c:20]1(-[c:45]2[n:44][c:43]([C:49](=[O:50])[NH:51][CH2:52][CH2:53][N:54]3[CH2:55][CH2:56][O:57][CH2:58][CH2:59]3)[c:42]([NH2:41])[n:47][cH:46]2)[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[N:29]2[CH2:30][CH2:31][CH2:32][CH2:33]2)[cH:24][cH:25]1

Participants

11

Reactant 9

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 21531Triisopropyl borateHCID 7386181-(4-Bromobenzene-1-sulfonyl)pyrrolidineHCID 10426742HCID 10426742, compoundHCID 178418339Butyllithium

Product 2

HCID 313Hydrochloric AcidHCID 10391158HCID 10391158, compound

Sources & evidence

ORD record
ord-08c5d2a9e93d44ec8edc17e95116508f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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