Cyclopropanesulfonamide → N-[17-[2-(3-tert-butylpyrazol-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
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:10]2[n:11][c:12]3[c:13]([CH3:47])[c:14]([O:45][CH3:46])[cH:15][cH:16][c:17]3[c:18]([O:20][CH:21]3[CH2:22][CH:23]4[C:24](=[O:44])[N:25]([CH3:43])[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:19]2)[cH:8][cH:9]1.[CH:48]1([S:51](=[O:52])(=[O:53])[NH2:54])[CH2:49][CH2:50]1.[Cl:55][c:56]1[c:57]([O:58][CH3:59])[cH:60][cH:61][c:62]2[c:63]1[n:64][c:65](-[c:66]1[s:67][cH:68][c:69]([CH:70]([CH3:71])[CH3:72])[n:73]1)[cH:74][c:75]2[O:76][CH:77]1[CH2:78][CH:79]2[CH:80]([C:81](=[O:82])[N:83]([CH3:84])[CH2:85][CH2:86][CH2:87][CH2:88][CH:89]=[CH:90][CH:91]3[C:92]([C:93]([NH:94][S:95]([CH:96]4[CH2:97][CH2:98]4)(=[O:99])=[O:100])=[O:101])([NH:102][C:103]2=[O:104])[CH2:105]3)[CH2:106]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:10]2[n:11][c:12]3[c:13]([CH3:47])[c:14]([O:45][CH3:46])[cH:15][cH:16][c:17]3[c:18]([O:20][CH:21]3[CH2:22][CH:23]4[C:24](=[O:44])[N:25]([CH3:43])[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:54][S:51]([CH:48]5[CH2:49][CH2:50]5)(=[O:52])=[O:53])[NH:35][C:36](=[O:39])[CH:37]4[CH2:38]3)[cH:19]2)[cH:8][cH:9]1Participants
4
Reactant 3
HCID 15765418Cyclopropanesulfonamide
HCID 6687116617-[2-(3-Tert-butylpyrazol-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-254ed2fff8ba4eb0b60ca6d9a2696e2a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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