Chloride → HCID 178449365, compound

HRID 668678Notes

Reaction equation

HRID 668678 reaction equation
[C:40]([CH3:41])([CH3:42])([CH3:43])[NH:44][C:45]([NH:46][CH:47]([C:48](=[O:49])[OH:50])[C:51]([CH3:52])([CH3:53])[CH3:54])=[O:55].[CH3:89][S:90]([CH3:91])=[O:92].[CH:2]1([NH:5][C:6]([CH:7]([CH:8]([CH2:9][CH2:10][CH3:11])[NH:12][C:13](=[O:14])[CH:15]2[NH2+:16][CH2:17][CH:18]([O:20][c:21]3[cH:22][c:23](-[n:33]4[n:34][cH:35][cH:36][cH:37]4)[n:24][c:25]4[cH:26][c:27]([O:31][CH3:32])[cH:28][cH:29][c:30]34)[CH2:19]2)[OH:38])=[O:39])[CH2:3][CH2:4]1.[CH:80]([N:81]([CH:82]([CH3:83])[CH3:84])[CH2:85][CH3:86])([CH3:87])[CH3:88].[Cl-:1].[OH2:93].[P-:56]([F:57])([F:58])([F:59])([F:60])([F:61])[F:62].[n:63]1([O:64][C:65]([N:66]([CH3:67])[CH3:68])=[N+:69]([CH3:70])[CH3:71])[c:72]2[n:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[CH:2]1([NH:5][C:6]([CH:7]([CH:8]([CH2:9][CH2:10][CH3:11])[NH:12][C:13](=[O:14])[CH:15]2[N:16]([C:48]([CH:47]([NH:46][C:45]([NH:44][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:55])[C:51]([CH3:52])([CH3:53])[CH3:54])=[O:49])[CH2:17][CH:18]([O:20][c:21]3[cH:22][c:23](-[n:33]4[n:34][cH:35][cH:36][cH:37]4)[n:24][c:25]4[cH:26][c:27]([O:31][CH3:32])[cH:28][cH:29][c:30]34)[CH2:19]2)[OH:38])=[O:39])[CH2:3][CH2:4]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 962WaterHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 43468023HCID 43468023, compoundHCID 178449367HCID 178449367, compound

Product 1

HCID 178449365HCID 178449365, compound

Sources & evidence

ORD record
ord-96fa4957aae64a25bec1840eff31eaeb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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