Chloride → 2-{4-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl]-pyrazol-1-yl}-N-(1-methyl-azetidin-3-yl)-isobutyramide
Reaction equation
[CH2:59]([Cl:60])[Cl:61].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH3:46][N:47]1[CH2:48][CH:49]([NH2:51])[CH2:50]1.[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[cH:24][n:25][n:26]([C:28]([C:29](=[O:30])[OH:31])([CH3:32])[CH3:33])[cH:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[Cl-:45].[Cl:34][C:35]([C:36]([Cl:37])=[O:38])=[O:39]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[cH:24][n:25][n:26]([C:28]([C:29](=[O:30])[NH:51][CH:49]4[CH2:48][N:47]([CH3:46])[CH2:50]4)([CH3:32])[CH3:33])[cH:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-2bf4010bf169422c9bee4bb0aa08e900
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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