Hydrochloric Acid → HCID 86597094, compound

HRID 1209779Notes

Reaction equation

HRID 1209779 reaction equation
[CH3:47][S:48]([CH3:49])=[O:50].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:46].[F:10][c:11]1[c:12]([N+:17](=[O:18])[O-:19])[cH:13][cH:14][cH:15][cH:16]1.[NH:20]1[CH2:21][CH2:22][CH:23]([C:26](=[O:27])[NH:28][S:29](=[O:30])(=[O:31])[c:32]2[cH:33][c:34]([C:42]([F:43])([F:44])[F:45])[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]2)[CH2:24][CH2:25]1>>[c:11]1([N:20]2[CH2:21][CH2:22][CH:23]([C:26](=[O:27])[NH:28][S:29](=[O:30])(=[O:31])[c:32]3[cH:33][c:34]([C:42]([F:43])([F:44])[F:45])[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]3)[CH2:24][CH2:25]2)[c:12]([N+:17](=[O:18])[O-:19])[cH:13][cH:14][cH:15][cH:16]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 738951-Fluoro-2-nitrobenzeneHCID 81531DiisopropylethylamineHCID 86597095HCID 86597095, compound

Product 1

HCID 86597094HCID 86597094, compound

Sources & evidence

ORD record
ord-2adea72f740d4ba0a4fd100d257060a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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