Citric Acid → Cyclopropanesulfonic acid {17-[2-(6-methyl-2-pyridyl)-7-methoxy-8-methyl-quinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diaza-tricyclo-[13.3.0.04,6]octadec-7-ene-4-carbonyl}-amide

HRID 143060Notes

Reaction equation

HRID 143060 reaction equation
[C:46]([n:47]1[cH:48][cH:49][n:50][cH:51]1)([n:52]1[cH:53][cH:54][n:55][cH:56]1)=[O:57].[CH2:65]1[CH2:66][CH2:67][C:68]2=[N:73][CH2:72][CH2:71][CH2:70][N:69]2[CH2:74][CH2:75]1.[CH2:89]1[O:90][CH2:91][CH2:92][CH2:93]1.[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]3[c:11]([CH3:45])[c:12]([O:43][CH3:44])[cH:13][cH:14][c:15]3[c:16]([O:18][CH:19]3[CH2:20][CH:21]4[C:22](=[O:42])[N:23]([CH3:41])[CH2:24][CH2:25][CH2:26][CH2:27][CH:28]=[CH:29][CH:30]5[CH2:31][C:32]5([C:38](=[O:39])[OH:40])[NH:33][C:34](=[O:37])[CH:35]4[CH2:36]3)[cH:17]2)[n:7]1.[CH:58]1([S:61](=[O:62])(=[O:63])[NH2:64])[CH2:59][CH2:60]1.[OH:76][C:77]([CH2:78][C:79]([C:80](=[O:81])[OH:82])([CH2:83][C:84](=[O:85])[OH:86])[OH:87])=[O:88]>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]3[c:11]([CH3:45])[c:12]([O:43][CH3:44])[cH:13][cH:14][c:15]3[c:16]([O:18][CH:19]3[CH2:20][CH:21]4[C:22](=[O:42])[N:23]([CH3:41])[CH2:24][CH2:25][CH2:26][CH2:27][CH:28]=[CH:29][CH:30]5[CH2:31][C:32]5([C:38](=[O:40])[NH:64][S:61]([CH:58]5[CH2:59][CH2:60]5)(=[O:62])=[O:63])[NH:33][C:34](=[O:37])[CH:35]4[CH2:36]3)[cH:17]2)[n:7]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 8028TetrahydrofuranHCID 682631,1'-CarbonyldiimidazoleHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 15765418CyclopropanesulfonamideHCID 7667481117-[2-(6-Methyl-2-pyridyl)-7-methoxy-8-methylquinolin-4-yl-oxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid

Product 1

HCID 76674791Cyclopropanesulfonic acid {17-[2-(6-methyl-2-pyridyl)-7-methoxy-8-methyl-quinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diaza-tricyclo-[13.3.0.04,6]octadec-7-ene-4-carbonyl}-amide

Sources & evidence

ORD record
ord-469baa0318bc460cb5c6a74f4e6fab2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…