Dimethyl Sulfoxide → HCID 178455258, compound

HRID 151600Notes

Reaction equation

HRID 151600 reaction equation
[C:1]12([CH2:11][CH2:12][O:13][c:14]3[cH:15][c:16]([CH2:20][CH2:21][NH2:22])[cH:17][cH:18][cH:19]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[C:53](=[O:54])([O-:55])[OH:56].[CH2:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[O:30][c:31]1[cH:32][cH:33][c:34]([CH:42]([CH2:43][Br:44])[O:45][Si:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[CH3:52])[c:35]2[cH:36][cH:37][c:38](=[O:41])[nH:39][c:40]12.[CH3:60][S:61](=[O:62])[CH3:63].[I-:59].[Na+:57].[Na+:58].[OH2:64]>>[C:1]12([CH2:11][CH2:12][O:13][c:14]3[cH:15][c:16]([CH2:20][CH2:21][NH:22][CH2:43][CH:42]([c:34]4[cH:33][cH:32][c:31]([O:30][CH2:23][c:24]5[cH:25][cH:26][cH:27][cH:28][cH:29]5)[c:40]5[c:35]4[cH:36][cH:37][c:38](=[O:41])[nH:39]5)[O:45][Si:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[CH3:52])[cH:17][cH:18][cH:19]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 30165Iodide IonHCID 218806418-(benzyloxy)-5-[(1R)-2-bromo-1-{[tert-butyl(dimethyl)silyl]oxy}ethyl]quinolin-2(1H)-oneHCID 67520349(2-{3-[2-(1-Adamantyl)ethoxy]phenyl}ethyl)amine

Product 1

HCID 178455258HCID 178455258, compound

Sources & evidence

ORD record
ord-db3239d08e2641d38702a1005b2efe9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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