Acetonitrile → HCID 57012465, compound

HRID 671484Notes

Reaction equation

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

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 8857Ethyl Acetate

HCID 14917Hydrofluoric Acid

HCID 86746816HCID 86746816, compound

Product 1

HCID 57012465HCID 57012465, compound

Sources & evidence

ORD record: ord-e203672ee5ce45da80f89087315394ea
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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