Acetonitrile → 7-(3-{1-[(1-tert-Butoxycarbonyl-piperidin-4-yl)-methyl-amino]-cyclopropyl}-pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

HRID 1209973Notes

Reaction equation

HRID 1209973 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]([C:15]2([CH:18]3[CH2:19][NH:20][CH2:21][CH2:22]3)[CH2:16][CH2:17]2)[CH3:23])[CH2:12][CH2:13]1.[CH2:45]1[CH2:46][CH2:47][C:48]2=[N:53][CH2:52][CH2:51][CH2:50][N:49]2[CH2:54][CH2:55]1.[CH3:56][C:57]#[N:58].[CH:24]1([n:27]2[cH:28][c:29]([C:42](=[O:43])[OH:44])[c:30](=[O:41])[c:31]3[cH:32][c:33]([F:40])[c:34]([F:39])[c:35]([O:37][CH3:38])[c:36]23)[CH2:25][CH2:26]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([N:14]([C:15]2([CH:18]3[CH2:19][N:20]([c:34]4[c:33]([F:40])[cH:32][c:31]5[c:30](=[O:41])[c:29]([C:42](=[O:43])[OH:44])[cH:28][n:27]([CH:24]6[CH2:25][CH2:26]6)[c:36]5[c:35]4[O:37][CH3:38])[CH2:21][CH2:22]3)[CH2:16][CH2:17]2)[CH3:23])[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 70194651-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acidHCID 688921244-[Methyl-(1-pyrrolidin-3-yl-cyclopropyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 694924817-(3-{1-[(1-tert-Butoxycarbonyl-piperidin-4-yl)-methyl-amino]-cyclopropyl}-pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-a536e9c5fb4f4974ac454bd5728b42b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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