Hydrochloric Acid → 1-Cyclopropyl-6,8-difluoro-7-[3-(4-carboxy-1,2,3-triazol-1-yl]pyrrolidin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HRID 1131502Notes

Reaction equation

HRID 1131502 reaction equation
[C:22](=[O:23])([OH:24])[c:25]1[n:26][n:27][n:28]([CH:30]2[CH2:31][NH:32][CH2:33][CH2:34]2)[cH:29]1.[CH3:59][C:60]#[N:61].[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[ClH:21].[N+:35](=[C:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH:46]1[CH:47]1[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]1)=[N-:58]>>[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([N:32]4[CH2:31][CH:30]([n:28]5[n:27][n:26][c:25]([C:22](=[O:23])[OH:24])[cH:29]5)[CH2:34][CH2:33]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 5354141-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidHCID 190059681-(Pyrrolidin-3-yl)-1H-1,2,3-triazole-4-carboxylic acidHCID 22171225Diazobicycloundecane

Product 1

HCID 570442821-Cyclopropyl-6,8-difluoro-7-[3-(4-carboxy-1,2,3-triazol-1-yl]pyrrolidin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-0672250504bb46b5ac8f22cfb57d99c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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