Chloride → HCID 178435276, compound

HRID 2350502Notes

Reaction equation

HRID 2350502 reaction equation
[CH:2]1([S:5](=[O:6])(=[O:7])[NH:8][C:9](=[O:10])[C:11]2([NH3+:16])[CH:12]([CH:14]=[CH2:15])[CH2:13]2)[CH2:3][CH2:4]1.[CH:41]1([CH:47]2[C:48](=[O:78])[N:49]3[CH:50]([C:75](=[O:76])[OH:77])[CH2:51][CH:52]([O:53][CH2:54][c:55]4[cH:56][cH:57][cH:58][c:59]([cH:73]4)-[c:60]4[cH:61][cH:62][cH:63][c:64]([cH:72]4)[CH:65]=[CH:66][CH2:67][CH2:68][CH2:69][CH2:70][NH:71]2)[CH2:74]3)[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[CH:79]([N:80]([CH2:81][CH3:82])[CH:83]([CH3:84])[CH3:85])([CH3:86])[CH3:87].[Cl-:1].[O:88]=[CH:89][N:90]([CH3:91])[CH3:92].[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[n:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[CH:2]1([S:5](=[O:6])(=[O:7])[NH:8][C:9](=[O:10])[C:11]2([NH:16][C:75]([CH:50]3[N:49]4[C:48](=[O:78])[CH:47]([CH:41]5[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]5)[NH:71][CH2:70][CH2:69][CH2:68][CH2:67][CH:66]=[CH:65][c:64]5[cH:63][cH:62][cH:61][c:60]([cH:72]5)-[c:59]5[cH:58][cH:57][cH:56][c:55]([cH:73]5)[CH2:54][O:53][CH:52]([CH2:51]3)[CH2:74]4)=[O:76])[CH:12]([CH:14]=[CH2:15])[CH2:13]2)[CH2:3][CH2:4]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 23595212HCID 23595212, compoundHCID 178524050HCID 178524050, compound

Product 1

HCID 178435276HCID 178435276, compound

Sources & evidence

ORD record
ord-b0f9ab2079db45fd961b0ceddb9a4f50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…