Acetonitrile → HCID 178474365, compound

HRID 2317777Notes

Reaction equation

HRID 2317777 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]1[CH:6]([CH:45]([CH:46]([CH2:47][OH:48])[OH:49])[OH:50])[O:7][C:8]([C:29](=[O:30])[O:31][CH:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)=[CH:9][CH:10]1[NH:11][C:12](=[N:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28].[C:51](=[O:52])([n:53]1[cH:54][cH:55][n:56][cH:57]1)[n:58]1[cH:59][cH:60][n:61][cH:62]1.[CH3:63][C:64]#[N:65]>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]1[CH:6]([CH:45]([CH:46]2[CH2:47][O:48][C:51](=[O:52])[O:49]2)[OH:50])[O:7][C:8]([C:29](=[O:30])[O:31][CH:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)=[CH:9][CH:10]1[NH:11][C:12](=[N:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 682631,1'-CarbonyldiimidazoleHCID 178474366HCID 178474366, compound

Product 1

HCID 178474365HCID 178474365, compound

Sources & evidence

ORD record
ord-d9979331fc58474993b26c55ada412db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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