Water → 1-(5-{2-[2-(2,4-Difluoro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1-thia-10-aza-benzo[e]azulen-9-yl}-2,5-diaza-bicyclo[2.2.1]hept-2-yl)-ethanone
Reaction equation
[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:35][C:36]([Cl:37])=[O:38].[CH:1]12[N:2]([c:8]3[cH:9][cH:10][c:11]4[c:12]([n:34]3)-[c:13]3[s:14][c:15](-[c:21]5[n:22](-[c:26]6[c:27]([F:33])[cH:28][c:29]([F:32])[cH:30][cH:31]6)[n:23][cH:24][n:25]5)[cH:16][c:17]3[CH2:18][CH2:19][O:20]4)[CH2:3][CH:4]([NH:5][CH2:6]1)[CH2:7]2.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[OH2:48]>>[CH:1]12[N:2]([c:8]3[cH:9][cH:10][c:11]4[c:12]([n:34]3)-[c:13]3[s:14][c:15](-[c:21]5[n:22](-[c:26]6[c:27]([F:33])[cH:28][c:29]([F:32])[cH:30][cH:31]6)[n:23][cH:24][n:25]5)[cH:16][c:17]3[CH2:18][CH2:19][O:20]4)[CH2:3][CH:4]([N:5]([C:36]([CH3:35])=[O:38])[CH2:6]1)[CH2:7]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-d01368b46b9643b6bbdbe81a0672d836
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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