1-(Hex-5-ynyl)-4-phenyl-2-oxa-6,7-dithiabicyclo[2.2.2]octane → 1-(Hex-5ynyl)-4-n-propyl-2-oxa-6,7-dithiabicyclo[2.2.2]octane

HRID 96633Notes

Reaction equation

HRID 96633 reaction equation
[C:104]([C:105]([CH2:106][OH:107])([CH2:108][SH:109])[CH2:110][SH:111])([CH3:112])([CH3:113])[CH3:114].[C:19]([C:20]12[CH2:21][S:22][C:23]([CH2:24][CH2:25][CH2:26][CH2:27][C:28]#[CH:29])([S:30][CH2:31]1)[O:32][CH2:33]2)([CH3:34])([CH3:35])[CH3:36].[CH2:115]([C:116]([CH2:117][OH:118])([CH2:119][SH:120])[CH2:121][SH:122])[CH:123]([CH3:124])[CH3:125].[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]12[CH2:6][O:7][C:8]([CH2:13][CH2:14][CH2:15][CH2:16][C:17]#[CH:18])([S:9][CH2:10]1)[S:11][CH2:12]2.[CH2:37]([C:38]12[CH2:39][S:40][C:41]([CH2:42][CH2:43][CH2:44][CH2:45][C:46]#[CH:47])([S:48][CH2:49]1)[O:50][CH2:51]2)[CH:52]([CH3:53])[CH3:54].[CH2:55]([C:56]12[S:57][CH2:58][C:59]([c:60]3[cH:61][cH:62][cH:63][cH:64][cH:65]3)([CH2:66][S:67]1)[CH2:68][O:69]2)[CH2:70][CH2:71][CH2:72][C:73]#[CH:74].[CH2:93]([C:94]([CH2:95][OH:96])([CH2:97][SH:98])[CH2:99][SH:100])[CH2:101][CH2:102][CH3:103].[CH:139]1([CH2:140][C:141]([CH2:142][OH:143])([CH2:144][SH:145])[CH2:146][SH:147])[CH2:148][CH2:149]1.[CH:75]1([CH2:76][C:77]23[CH2:78][S:79][C:80]([CH2:81][CH2:82][CH2:83][CH2:84][C:85]#[CH:86])([S:87][CH2:88]2)[O:89][CH2:90]3)[CH2:91][CH2:92]1.[OH:126][CH2:127][C:128]([c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1)([CH2:135][SH:136])[CH2:137][SH:138]>>[CH2:1]([CH2:2][CH3:3])[C:5]12[CH2:6][O:7][C:8]([CH2:13][CH2:14][CH2:15][CH2:16][C:17]#[CH:18])([S:9][CH2:10]1)[S:11][CH2:12]2

Participants

11

Reactant 10

HCID 193732651-(Hex-5-ynyl)-4-phenyl-2-oxa-6,7-dithiabicyclo[2.2.2]octaneHCID 193732674-i-Butyl-1-(hex-5-ynyl)-2-oxa-6,7-dithiabicyclo[2.2.2]octaneHCID 193732792-n-Butyl-2-hydroxymethylpropan-1,3-dithiolHCID 193733084-t-Butyl-1-(hex-5-ynyl)-2-oxa-6,7-dithiabicyclo[2.2.2]octaneHCID 193733134-n-Butyl-1-(hex-5-ynyl)-2-oxa-6,7-dithiabicyclo[2.2.2]octaneHCID 193733982-t-Butyl-2-hydroxymethylpropan-1,3-dithiolHCID 193734024-Cyclopropylmethyl-1-(hex-5-ynyl)-2-oxa-6,7-dithiabicyclo[2.2.2]octaneHCID 231725902-i-Butyl-2-hydroxymethylpropan-1,3-dithiolHCID 537500442-Cyclopropylmethyl-2-hydroxymethylpropan-1,3-dithiolHCID 544323522-Hydroxymethyl-2-phenylpropan-1,3-dithiol

Product 1

HCID 193733381-(Hex-5ynyl)-4-n-propyl-2-oxa-6,7-dithiabicyclo[2.2.2]octane

Sources & evidence

ORD record
ord-e6200b0191fa4f8d8caf26c3ced06c37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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