Chloride → HCID 178435277, compound

HRID 1202914Notes

Reaction equation

HRID 1202914 reaction equation
[C:41]([CH3:42])([CH3:43])([CH3:44])[CH:45]1[C:46](=[O:76])[N:47]2[CH:48]([C:73](=[O:74])[OH:75])[CH2:49][CH:50]([O:51][CH2:52][c:53]3[cH:54][cH:55][cH:56][c:57]([cH:71]3)-[c:58]3[cH:59][cH:60][cH:61][c:62]([cH:70]3)[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][NH:69]1)[CH2:72]2.[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:77]([N:78]([CH2:79][CH3:80])[CH:81]([CH3:82])[CH3:83])([CH3:84])[CH3:85].[Cl-:1].[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[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:73]([CH:48]3[N:47]4[C:46](=[O:76])[CH:45]([C:41]([CH3:42])([CH3:43])[CH3:44])[NH:69][CH2:68][CH2:67][CH2:66][CH2:65][CH2:64][CH2:63][c:62]5[cH:61][cH:60][cH:59][c:58]([cH:70]5)-[c:57]5[cH:56][cH:55][cH:54][c:53]([cH:71]5)[CH2:52][O:51][CH:50]([CH2:49]3)[CH2:72]4)=[O:74])[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 178441613HCID 178441613, compound

Product 1

HCID 178435277HCID 178435277, compound

Sources & evidence

ORD record
ord-77b9716dfd064140b417ed2455732d1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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