Isobutylamine → HCID 178449297, compound

HRID 2345436Notes

Reaction equation

HRID 2345436 reaction equation
[C:1](#[N:2])[C:3](=[CH:4][c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13]1)[C:14]([N:15]([c:16]1[cH:17][c:18]2[c:19]([n:20][c:21]([SH:23])[s:22]2)[cH:24][cH:25]1)[CH:26]([CH3:27])[CH3:28])=[O:29].[CH2:30]([CH:31]([CH3:32])[CH3:33])[NH2:34].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[C:1](#[N:2])[C:3](=[CH:4][c:5]1[cH:6][cH:7][c:8]([C:9](=[O:11])[NH:34][CH2:30][CH:31]([CH3:32])[CH3:33])[cH:12][cH:13]1)[C:14]([N:15]([c:16]1[cH:17][c:18]2[c:19]([n:20][c:21]([SH:23])[s:22]2)[cH:24][cH:25]1)[CH:26]([CH3:27])[CH3:28])=[O:29]

Participants

7

Reactant 6

HCID 6558IsobutylamineHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178457775HCID 178457775, compound

Product 1

HCID 178449297HCID 178449297, compound

Sources & evidence

ORD record
ord-349c9e6ebbcc4b7398f0ab41f6c77ccb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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