Cyclopropanesulfonamide → N-[18-[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methylquinolin-4-yl-oxy]-2,15-dioxo-3,14-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl] (cyclopropyl)sulfonamide
Reaction equation
[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6](-[c:9]2[n:10][c:11]3[c:12]([CH3:46])[c:13]([O:44][CH3:45])[cH:14][cH:15][c:16]3[c:17]([O:19][CH:20]3[CH2:21][CH:22]4[C:23](=[O:43])[NH:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH:30]=[CH:31][CH:32]5[CH2:33][C:34]5([C:40](=[O:41])[OH:42])[NH:35][C:36](=[O:39])[CH:37]4[CH2:38]3)[cH:18]2)[s:7][cH:8]1.[CH:47]1([S:50](=[O:51])(=[O:52])[NH2:53])[CH2:48][CH2:49]1.[CH:54]([c:55]1[n:56][c:57](-[c:58]2[cH:59][c:60]([O:61][CH:62]3[CH2:63][CH:64]4[CH:65]([C:66](=[O:67])[N:68]([CH3:69])[CH2:70][CH2:71][CH2:72][CH2:73][CH:74]=[CH:75][CH:76]5[C:77]([C:78]([NH:79][S:80]([CH:81]6[CH2:82][CH2:83]6)(=[O:84])=[O:85])=[O:86])([NH:87][C:88]4=[O:89])[CH2:90]5)[CH2:91]3)[c:92]3[c:93]([c:94]([CH3:95])[c:96]([O:97][CH3:98])[cH:99][cH:100]3)[n:101]2)[s:102][cH:103]1)([CH3:104])[CH3:105]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6](-[c:9]2[n:10][c:11]3[c:12]([CH3:46])[c:13]([O:44][CH3:45])[cH:14][cH:15][c:16]3[c:17]([O:19][CH:20]3[CH2:21][CH:22]4[C:23](=[O:43])[NH:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH:30]=[CH:31][CH:32]5[CH2:33][C:34]5([C:40](=[O:41])[NH:53][S:50]([CH:47]5[CH2:48][CH2:49]5)(=[O:51])=[O:52])[NH:35][C:36](=[O:39])[CH:37]4[CH2:38]3)[cH:18]2)[s:7][cH:8]1Participants
4
Reactant 3
HCID 15765418Cyclopropanesulfonamide
HCID 66811198N-[17-[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methyl-quinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamide
HCID 6687214118-[2-(4-Isopropylthiazole-2-yl)-7-methoxy-8-methylquinolin-4-yloxy]-2,15-dioxo-3,14-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acidProduct 1
Sources & evidence
- ORD record
- ord-4dc25cb324414a90882add8ecb2ae381
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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