Water → HCID 77258253, compound

HRID 186926Notes

Reaction equation

HRID 186926 reaction equation
[C:51]([CH3:52])([CH3:53])([CH3:54])[Si:55]([O:56][CH2:57][CH2:58][n:59]1[n:60][c:61](-[c:65]2[cH:66][cH:67][c:68]([CH3:72])[c:69]([NH2:71])[cH:70]2)[cH:62][c:63]1[CH3:64])([CH3:73])[CH3:74].[CH3:75][N:76]1[CH2:77][CH2:78][CH2:79][C:80]1=[O:81].[CH:18]([N:19]([CH2:20][CH3:21])[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9]([C:15](=[O:16])[OH:17])=[CH:10][NH:11][C:12](=[O:14])[CH2:13]2)[cH:6][cH:7]1.[OH2:82].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9]([C:15](=[O:17])[NH:71][c:69]3[c:68]([CH3:72])[cH:67][cH:66][c:65](-[c:61]4[n:60][n:59]([CH2:58][CH2:57][O:56][Si:55]([C:51]([CH3:52])([CH3:53])[CH3:54])([CH3:73])[CH3:74])[c:63]([CH3:64])[cH:62]4)[cH:70]3)=[CH:10][NH:11][C:12](=[O:14])[CH2:13]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 962WaterHCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59377437HCID 59377437, compoundHCID 66955104HCID 66955104, compound

Product 1

HCID 77258253HCID 77258253, compound

Sources & evidence

ORD record
ord-6157d09b97ca46d48323e3e095525f4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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