Water → Hydrochloric Acid

HRID 97628Notes

Reaction equation

HRID 97628 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[Cl:5].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl:6][c:7]1[c:8]([CH2:13][CH2:14][N:15]([CH2:16][CH2:17][CH2:18][CH2:19][C:20](=[O:21])[c:22]2[cH:23][c:24]3[c:25]([cH:31][cH:32]2)[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]3)[CH3:33])[cH:9][cH:10][cH:11][cH:12]1.[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:41]>>[CH3:1][S:2](=[O:3])(=[O:4])[N:28]1[CH2:27][CH2:26][c:25]2[c:24]([cH:23][c:22]([C:20]([CH2:19][CH2:18][CH2:17][CH2:16][N:15]([CH2:14][CH2:13][c:8]3[c:7]([Cl:6])[cH:12][cH:11][cH:10][cH:9]3)[CH3:33])=[O:21])[cH:32][cH:31]2)[CH2:30][CH2:29]1.[ClH:5]

Participants

7

Reactant 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 58737268HCID 58737268, compound

Product 2

HCID 313Hydrochloric AcidHCID 218881235-[2-(2-Chlorophenyl)ethyl-methylamino]-1-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pentan-1-one

Sources & evidence

ORD record
ord-752a0143c7fb41259ee99bab008490b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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