Hydrochloric Acid → 2-{6,6-dimethyl-1-[2-(trimethylsilyl)ethoxymethyl]-4,5,6,7-tetrahydro-1H-indazol-3-yl}-1-[2-(trimethylsilyl)ethoxymethyl]-1H-indole-6-carboxylic acid (2-hydroxy-1-methylethyl)amide

HRID 112296Notes

Reaction equation

HRID 112296 reaction equation
[CH2:52]([N:53]=[C:54]=[N:55][CH2:56][CH2:57][CH2:58][N:59]([CH3:60])[CH3:61])[CH3:62].[CH3:1][C:2]1([CH3:39])[CH2:3][CH2:4][c:5]2[c:6](-[c:19]3[n:20]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[c:21]4[cH:22][c:23]([C:28](=[O:29])[OH:30])[cH:24][cH:25][c:26]4[cH:27]3)[n:7][n:8]([CH2:11][O:12][CH2:13][CH2:14][Si:15]([CH3:16])([CH3:17])[CH3:18])[c:9]2[CH2:10]1.[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[ClH:51].[NH2:63][CH:64]([CH2:65][OH:66])[CH3:67].[OH2:40].[OH2:79].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH3:1][C:2]1([CH3:39])[CH2:3][CH2:4][c:5]2[c:6](-[c:19]3[n:20]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[c:21]4[cH:22][c:23]([C:28](=[O:29])[NH:63][CH:64]([CH2:65][OH:66])[CH3:67])[cH:24][cH:25][c:26]4[cH:27]3)[n:7][n:8]([CH2:11][O:12][CH2:13][CH2:14][Si:15]([CH3:16])([CH3:17])[CH3:18])[c:9]2[CH2:10]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962Water2×HCID 51262-AminopropanolHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 585502432-{6,6-dimethyl-1-[2-(trimethylsilyl)ethoxymethyl]-4,5,6,7-tetrahydro-1H-indazol-3-yl}-1-[2-(trimethylsilyl)ethoxymethyl]-1H-indole-6-carboxylic acid

Product 1

HCID 585501082-{6,6-dimethyl-1-[2-(trimethylsilyl)ethoxymethyl]-4,5,6,7-tetrahydro-1H-indazol-3-yl}-1-[2-(trimethylsilyl)ethoxymethyl]-1H-indole-6-carboxylic acid (2-hydroxy-1-methylethyl)amide

Sources & evidence

ORD record
ord-5833f9b9796b48f98b773a6ac363b117
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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