1-Butanol → 8-(4-Methyl-piperazin-1-yl)-3phenylsulfonylquinoline

HRID 2316062Notes

Reaction equation

HRID 2316062 reaction equation
[C:36](=[O:37])([OH:38])[O-:39].[CH2:48]([OH:49])[CH2:50][CH2:51][CH3:52].[Cl:22][CH2:23][CH2:24][N:25]([CH3:26])[CH2:27][CH2:28][Cl:29].[ClH:21].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([S:12](=[O:13])(=[O:14])[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:9][n:10][c:11]12.[Na+:30].[Na+:31].[Na+:40].[Na+:46].[Na+:47].[O-:32][C:33](=[O:34])[O-:35].[S:41]([O-:42])([O-:43])(=[O:44])=[S:45]>>[N:1]1([c:2]2[cH:3][cH:4][cH:5][c:6]3[cH:7][c:8]([S:12](=[O:13])(=[O:14])[c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[cH:9][n:10][c:11]23)[CH2:23][CH2:24][N:25]([CH3:26])[CH2:27][CH2:28]1

Participants

9

Reactant 8

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion5×HCID 1084Thiosulfate ionHCID 4033MechlorethamineHCID 19660Carbonate IonHCID 534255023-(Phenylsulfonyl)-8-quinolinamine

Product 1

HCID 99291628-(4-Methyl-piperazin-1-yl)-3phenylsulfonylquinoline

Sources & evidence

ORD record
ord-d66cd58704124cf6945b2da4de0a5726
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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