Hydrochloric Acid → 4-Nitrobenzenesulfonic acid

HRID 142372

Reaction equation

HRID 142372 reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[NH:32][C:33](=[O:34])[CH:35]1[NH:36][CH2:37][CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]2[CH2:44]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[NH:9][C:10](=[O:27])[O:11][CH:12]1[CH2:13][O:14][S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]1.[CH3:51][CH:52]([CH3:53])[CH2:54][C:55](=[O:56])[CH3:57].[ClH:58].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[NH:9][C:10](=[O:27])[O:11][CH:12]1[CH2:13][N:36]1[CH:35]([C:33]([NH:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:44][CH:43]2[CH:38]([CH2:37]1)[CH2:39][CH2:40][CH2:41][CH2:42]2.[O:14]=[S:15](=[O:16])([OH:17])[c:18]1[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 3667935N-(tert-butyl)decahydroisoquinoline-3-carboxamideHCID 22362142HCID 22362142, compound

Product 2

HCID 87404-Nitrobenzenesulfonic acidHCID 178449248HCID 178449248, compound

Sources & evidence

ORD record
ord-5e12211bcb0142c6b9403eb41876911f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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