Dichloromethane → 3-{[({3'-[(4-{[(1,1-Dimethyl ethyl)oxy]carbonyl}-1-piperazinyl)methyl]-6-fluoro-3-biphenylyl}methyl)amino]sulfonyl}benzoic acid

HRID 2149826Notes

Reaction equation

HRID 2149826 reaction equation
[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12][cH:13]1.[Cl:50][CH2:51][Cl:52].[NH2:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([F:42])[c:20](-[c:22]2[cH:23][c:24]([CH2:28][N:29]3[CH2:30][CH2:31][N:32]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:33][CH2:34]3)[cH:25][cH:26][cH:27]2)[cH:21]1>>[S:2](=[O:3])(=[O:4])([c:5]1[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12][cH:13]1)[NH:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([F:42])[c:20](-[c:22]2[cH:23][c:24]([CH2:28][N:29]3[CH2:30][CH2:31][N:32]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:33][CH2:34]3)[cH:25][cH:26][cH:27]2)[cH:21]1

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 77641Benzoic acid, 3-(chlorosulfonyl)-HCID 578132811,1-Dimethylethyl 4-{[5'-(aminomethyl)-2'-fluoro-3-biphenylyl]methyl}-1-piperazinecarboxylate

Product 1

HCID 578134033-{[({3'-[(4-{[(1,1-Dimethyl ethyl)oxy]carbonyl}-1-piperazinyl)methyl]-6-fluoro-3-biphenylyl}methyl)amino]sulfonyl}benzoic acid

Sources & evidence

ORD record
ord-101efdb3ab204e948908db13b47c9b82
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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