1,2-Dichloroethane → Fluorosulfonate

HRID 1223352Notes

Reaction equation

HRID 1223352 reaction equation
[BrH:7].[C:49]1(=[O:91])[CH2:50][CH2:51][C:52](=[O:90])[N:53]1[O:54][C:55](=[O:56])[c:57]1[cH:58][cH:59][c:60]([N:63]([C:64](=[O:65])[c:66]2[c:67]3[cH:68][cH:69][cH:70][cH:71][c:72]3[n:73][c:74]3[cH:75][cH:76][cH:77][cH:78][c:79]23)[S:80](=[O:81])(=[O:82])[c:83]2[cH:84][cH:85][c:86]([CH3:89])[cH:87][cH:88]2)[cH:61][cH:62]1.[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([N:14]([S:15]([c:16]2[cH:17][cH:18][c:19]([CH2:20][CH2:21][CH2:22][CH2:23][C:24]([OH:25])=[O:26])[cH:27][cH:28]2)(=[O:29])=[O:30])[C:31]([c:32]2[c:33]3[c:34]([n:35][c:36]4[c:37]2[cH:38][cH:39][cH:40][cH:41]4)[cH:42][cH:43][cH:44][cH:45]3)=[O:46])[cH:47][cH:48]1.[Cl:92][CH2:93][CH2:94][Cl:95].[F:1][S:2](=[O:3])(=[O:4])[O:5][CH3:6]>>[CH3:6][n+:73]1[c:72]2[c:67]([c:66]([C:64]([N:63]([c:60]3[cH:59][cH:58][c:57]([C:55]([O:54][N:53]4[C:49](=[O:91])[CH2:50][CH2:51][C:52]4=[O:90])=[O:56])[cH:62][cH:61]3)[S:80](=[O:81])(=[O:82])[c:83]3[cH:84][cH:85][c:86]([CH3:89])[cH:87][cH:88]3)=[O:65])[c:79]3[c:74]1[cH:75][cH:76][cH:77][cH:78]3)[cH:68][cH:69][cH:70][cH:71]2.[F:1][S:2](=[O:3])(=[O:4])[O-:5]

Participants

7

Reactant 5

HCID 111,2-DichloroethaneHCID 260Hydrogen BromideHCID 9870Methyl fluorosulfateHCID 14459519HCID 14459519, compoundHCID 19598387HCID 19598387, compound

Product 2

HCID 3413884FluorosulfonateHCID 19598384HCID 19598384, compound

Sources & evidence

ORD record
ord-0e3df37b1ffd4df988cc301de5a96066
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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