Acetone → toluene-4-sulfonic acid 2-[1-(3-chloro-benzyl)-3-(naphthalene-1-sulfonyl)-1H-indazol-5-yloxy]-ethyl ester
Reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH3:53][C:54](=[O:55])[CH3:56].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][Br:6])[cH:7][cH:8][cH:9]1.[Cs+:50].[Cs+:51].[OH2:52].[c:10]1([S:20](=[O:21])(=[O:22])[c:23]2[n:24][nH:25][c:26]3[cH:27][cH:28][c:29]([O:32][CH2:33][CH2:34][O:35][S:36](=[O:37])(=[O:38])[c:39]4[cH:40][cH:41][c:42]([CH3:45])[cH:43][cH:44]4)[cH:30][c:31]23)[cH:11][cH:12][cH:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]12>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][n:25]2[n:24][c:23]([S:20]([c:10]3[cH:11][cH:12][cH:13][c:14]4[cH:15][cH:16][cH:17][cH:18][c:19]34)(=[O:21])=[O:22])[c:31]3[c:26]2[cH:27][cH:28][c:29]([O:32][CH2:33][CH2:34][O:35][S:36](=[O:37])(=[O:38])[c:39]2[cH:40][cH:41][c:42]([CH3:45])[cH:43][cH:44]2)[cH:30]3)[cH:7][cH:8][cH:9]1Participants
7
Sources & evidence
- ORD record
- ord-18b491d97abb4602bff256f2da9d3d93
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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