Ethanol → HCID 50993867, compound

HRID 695187Notes

Reaction equation

HRID 695187 reaction equation
[Br:29][c:30]1[cH:31][c:32]([I:46])[cH:33][c:34]([O:36][CH2:37][c:38]2[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][cH:43]2)[cH:35]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[c:10]3[cH:11][cH:12][n:13]([Si:18]([CH:19]([CH3:20])[CH3:21])([CH:22]([CH3:23])[CH3:24])[CH:25]([CH3:26])[CH3:27])[c:14]3[cH:15][cH:16][cH:17]2)[O:28]1.[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[CH3:59][CH2:60][OH:61].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[OH2:69]>>[c:9]1(-[c:32]2[cH:31][c:30]([Br:29])[cH:35][c:34]([O:36][CH2:37][c:38]3[cH:39][cH:40][c:41]([O:44][CH3:45])[cH:42][cH:43]3)[cH:33]2)[c:10]2[cH:11][cH:12][n:13]([Si:18]([CH:19]([CH3:20])[CH3:21])([CH:22]([CH3:23])[CH3:24])[CH:25]([CH3:26])[CH3:27])[c:14]2[cH:15][cH:16][cH:17]1

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 27955744-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-YL)-1-(triisopropylsilyl)-1H-indoleHCID 509940261-Bromo-3-iodo-5-(4-methoxy-benzyloxy)-benzene

Product 1

HCID 50993867HCID 50993867, compound

Sources & evidence

ORD record
ord-3ba8fc8c29794a7bad5390ec319dfb0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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