Acetonitrile → HCID 57207245, compound

HRID 1124836Notes

Reaction equation

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

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 8857Ethyl Acetate

HCID 14917Hydrofluoric Acid

HCID 57276360HCID 57276360, compound

Product 1

HCID 57207245HCID 57207245, compound

Sources & evidence

ORD record: ord-7f9c4be8f81643cd9e6b65aaec5936a8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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