Cyclopropanesulfonamide → N-[17-[2-(3-isopropylpyrazol-1-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
Reaction equation
[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][n: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])[N:24]([CH3:42])[CH2:25][CH2:26][CH2:27][CH2:28][CH:29]=[CH:30][CH:31]5[CH2:32][C:33]5([C:39](=[O:40])[OH:41])[NH:34][C:35](=[O:38])[CH:36]4[CH2:37]3)[cH:18]2)[cH:7][cH:8]1.[CH:47]1([S:50](=[O:51])(=[O:52])[NH2:53])[CH2:48][CH2:49]1.[Cl:54][c:55]1[c:56]([O:57][CH3:58])[cH:59][cH:60][c:61]2[c:62]1[n:63][c:64](-[c:65]1[s:66][cH:67][c:68]([CH:69]([CH3:70])[CH3:71])[n:72]1)[cH:73][c:74]2[O:75][CH:76]1[CH2:77][CH:78]2[CH:79]([C:80](=[O:81])[N:82]([CH3:83])[CH2:84][CH2:85][CH2:86][CH2:87][CH:88]=[CH:89][CH:90]3[C:91]([C:92]([NH:93][S:94]([CH:95]4[CH2:96][CH2:97]4)(=[O:98])=[O:99])=[O:100])([NH:101][C:102]2=[O:103])[CH2:104]3)[CH2:105]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][n: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])[N:24]([CH3:42])[CH2:25][CH2:26][CH2:27][CH2:28][CH:29]=[CH:30][CH:31]5[CH2:32][C:33]5([C:39](=[O:40])[NH:53][S:50]([CH:47]5[CH2:48][CH2:49]5)(=[O:51])=[O:52])[NH:34][C:35](=[O:38])[CH:36]4[CH2:37]3)[cH:18]2)[cH:7][cH:8]1Participants
4
Reactant 3
HCID 15765418Cyclopropanesulfonamide
HCID 6687076317-[2-(3-Isopropylpyrazol-1-yl)-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
HCID 66903073N-[17-[8-chloro-2-(4-isopropylthiazole-2-yl)-7-methoxyquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]-octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamideProduct 1
Sources & evidence
- ORD record
- ord-f7bf6917fcf34700aa7c27819fdb8535
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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