Ethanol → N-{3-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-N'-(4-octylbenzoyl)thiourea
Reaction equation
[CH2:22]([c:23]1[cH:24][cH:25][c:26]([C:27]([Cl:28])=[O:29])[cH:30][cH:31]1)[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH2:5]([c:6]1[cH:7][cH:8][c:9]([C:10]([OH:11])=[O:12])[cH:13][cH:14]1)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21].[CH2:62]([CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH3:69])[c:70]1[cH:71][cH:72][c:73]([C:76](=[O:77])[N:78]=[C:79]=[S:80])[cH:74][cH:75]1.[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[CH3:88][CH2:89][OH:90].[Cl:39][c:40]1[cH:41][c:42]([NH2:43])[cH:44][cH:45][c:46]1[O:47][c:48]1[cH:49][cH:50][n:51][c:52]2[cH:53][c:54]([O:60][CH3:61])[c:55]([O:58][CH3:59])[cH:56][c:57]12.[S:1]([Cl:2])([Cl:3])=[O:4]>>[Cl:39][c:40]1[cH:41][c:42]([NH:43][C:79]([NH:78][C:76]([c:73]2[cH:72][cH:71][c:70]([CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH3:69])[cH:75][cH:74]2)=[O:77])=[S:80])[cH:44][cH:45][c:46]1[O:47][c:48]1[cH:49][cH:50][n:51][c:52]2[cH:53][c:54]([O:60][CH3:61])[c:55]([O:58][CH3:59])[cH:56][c:57]12Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-976cba6dbd0147fabe5ba52bbc633c08
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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