Hydrochloric Acid → HCID 178421522, compound

HRID 671283Notes

Reaction equation

HRID 671283 reaction equation
[C:2]([NH2:3])(=[NH:4])[S:5][CH2:6][C:7]1=[C:8]([CH3:19])[c:9]2[c:10]([cH:14][cH:15][c:16]([Br:18])[cH:17]2)[O:11][CH2:12][CH2:13]1.[CH3:42][CH2:43][O:44][CH2:45][CH3:46].[ClH:1].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[Na+:29].[Na+:34].[O-:30][C:31]([OH:32])=[O:33].[OH-:28].[OH:20][S:21]([C:22]([F:23])([F:24])[F:25])(=[O:26])=[O:27]>>[C:2]1([NH2:3])=[N:4][C:8]2([CH3:19])[CH:7]([CH2:6][S:5]1)[CH2:13][CH2:12][O:11][c:10]1[c:9]2[cH:17][c:16]([Br:18])[cH:15][cH:14]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 961HydroxideHCID 3283Diethyl EtherHCID 6422Trifluoroacetic acidHCID 62406Trifluoromethanesulfonic acidHCID 86685424(7-Bromo-5-methyl-2,3-dihydro-1-benzoxepin-4-yl)methyl carbamimidothioate

Product 1

HCID 178421522HCID 178421522, compound

Sources & evidence

ORD record
ord-3c6c3e315c684e6195fe2aec21522f55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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