Dimethylformamide → 7-(4-Methoxy-2-isoindolinyl)-1-cyclopropyl-5-(2-hydroxyethylamino)-6,8-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HRID 2325623Notes

Reaction equation

HRID 2325623 reaction equation
[CH2:36]1[CH2:37][CH2:38][C:39]2=[N:44][CH2:43][CH2:42][CH2:41][N:40]2[CH2:45][CH2:46]1.[CH3:25][O:26][c:27]1[c:28]2[c:32]([cH:33][cH:34][cH:35]1)[CH2:31][NH:30][CH2:29]2.[CH:1]1([n:4]2[cH:5][c:6]([C:22](=[O:23])[OH:24])[c:7](=[O:21])[c:8]3[c:9]([NH:17][CH2:18][CH2:19][OH:20])[c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[CH:1]1([n:4]2[cH:5][c:6]([C:22](=[O:23])[OH:24])[c:7](=[O:21])[c:8]3[c:9]([NH:17][CH2:18][CH2:19][OH:20])[c:10]([F:16])[c:11]([N:30]4[CH2:29][c:28]5[c:27]([O:26][CH3:25])[cH:35][cH:34][cH:33][c:32]5[CH2:31]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 147958644-methoxy-2,3-dihydro-1H-isoindoleHCID 198284861-Cyclopropyl-5(2-hydroxyethylamino)-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Product 1

HCID 147957887-(4-Methoxy-2-isoindolinyl)-1-cyclopropyl-5-(2-hydroxyethylamino)-6,8-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-745b446c5bf84b29b0c8990b89857034
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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