Acetonitrile → HCID 178490569, compound

HRID 140327Notes

Reaction equation

HRID 140327 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[S:5][CH2:6][c:7]1[c:8]([O:9][c:10]2[cH:11][c:12]([CH2:18][C:19](=[O:20])[OH:21])[cH:13][cH:14][c:15]2[O:16][CH3:17])[cH:22][cH:23][c:24]([NH:26][C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[cH:25]1.[CH2:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[O:40][C:41](=[O:42])[CH:43]1[O:44][CH:45]([OH:52])[CH:46]([OH:51])[CH:47]([OH:50])[CH:48]1[OH:49].[CH3:77][N:78]1[CH2:79][CH2:80][O:81][CH2:82][CH2:83]1.[CH3:84][C:85]#[N:86].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[S:5][CH2:6][c:7]1[c:8]([O:9][c:10]2[cH:11][c:12]([CH2:18][C:19]([O:20][CH:45]3[O:44][CH:43]([C:41]([O:40][CH2:33][c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)=[O:42])[CH:48]([OH:49])[CH:47]([OH:50])[CH:46]3[OH:51])=[O:21])[cH:13][cH:14][c:15]2[O:16][CH3:17])[cH:22][cH:23][c:24]([NH:26][C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[cH:25]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 14602686benzyl 3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylateHCID 44600763Am-461

Product 1

HCID 178490569HCID 178490569, compound

Sources & evidence

ORD record
ord-0ac654d753584b1189a0ec2dc0499c08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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