Water → 1,1-Dimethylethyl 4-[4-cyano-1-(phenylsulfonyl)-1H-indazol-6-yl]-1H-indole-1-carboxylate

HRID 2148092Notes

Reaction equation

HRID 2148092 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:20]#[N:21])[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:9]2[cH:10]1.[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:22][C:23]1([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28][B:29]([c:30]2[c:31]3[cH:32][cH:33][n:34]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[c:35]3[cH:36][cH:37][cH:38]2)[O:46]1.[OH2:53]>>[c:2]1(-[c:30]2[c:31]3[cH:32][cH:33][n:34]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[c:35]3[cH:36][cH:37][cH:38]2)[cH:3][c:4]([C:20]#[N:21])[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:9]2[cH:10]1

Participants

5

Reactant 4

HCID 962WaterHCID 312751,4-DioxaneHCID 60204498Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylateHCID 666921566-Bromo-1-(phenylsulfonyl)-1H-indazole-4-carbonitrile

Product 1

HCID 667768451,1-Dimethylethyl 4-[4-cyano-1-(phenylsulfonyl)-1H-indazol-6-yl]-1H-indole-1-carboxylate

Sources & evidence

ORD record
ord-2b42eb741d934796a5835eb143bfc600
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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