Water → 5-[6-[[2-(hydroxymethyl)-4-methylpiperazin-1-yl]methyl]imidazo[4,5-c]pyridin-1-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
Reaction equation
[C:46]([O:47][C:48]([N:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH:54]1[C:55]([OH:56])=[O:57])=[O:58])([CH3:59])([CH3:60])[CH3:61].[C:62]([O:63][C:64]([N:65]1[CH2:66][CH2:67][NH:68][CH2:69][CH:70]1[C:71]([OH:72])=[O:73])=[O:74])([CH3:75])([CH3:76])[CH3:77].[CH3:1][S:2]([O:3][CH2:6][c:7]1[cH:8][c:9]2[c:10]([cH:11][n:12]1)[n:13][cH:14][n:15]2-[c:16]1[s:17][c:18]([C:34]([NH2:35])=[O:36])[c:19]([O:21][CH:22]([CH3:23])[c:24]2[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]2)[cH:20]1)(=[O:4])=[O:5].[CH3:37][N:38]1[CH2:39][CH:40]([CH2:44][OH:45])[NH:41][CH2:42][CH2:43]1.[CH3:82][CH2:83][N:84]([CH2:85][CH3:86])[CH2:87][CH3:88].[Cl:78][CH2:79][Cl:80].[OH2:81]>>[CH2:6]([c:7]1[cH:8][c:9]2[c:10]([cH:11][n:12]1)[n:13][cH:14][n:15]2-[c:16]1[s:17][c:18]([C:34]([NH2:35])=[O:36])[c:19]([O:21][CH:22]([CH3:23])[c:24]2[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]2)[cH:20]1)[N:41]1[CH:40]([CH2:44][OH:45])[CH2:39][N:38]([CH3:37])[CH2:43][CH2:42]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-9524672bc37846c28ff90ec5275139e6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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