Acetonitrile → HCID 10120494, compound

HRID 119959Notes

Reaction equation

HRID 119959 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([NH:12][C:13]([CH2:14][CH:15]([C:16](=[O:17])[OH:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)=[O:25])[cH:10][cH:11]1.[CH3:54][C:55]#[N:56].[NH2:36][c:37]1[cH:38][cH:39][c:40]([NH:43][C:44](=[O:45])[NH:46][c:47]2[c:48]([CH3:53])[cH:49][cH:50][cH:51][cH:52]2)[cH:41][cH:42]1.[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([NH:12][C:13]([CH2:14][CH:15]([C:16](=[O:17])[NH:36][c:37]2[cH:38][cH:39][c:40]([NH:43][C:44](=[O:45])[NH:46][c:47]3[c:48]([CH3:53])[cH:49][cH:50][cH:51][cH:52]3)[cH:41][cH:42]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)=[O:25])[cH:10][cH:11]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 757711-HydroxybenzotriazoleHCID 11253499HCID 11253499, compoundHCID 22056516HCID 22056516, compound

Product 1

HCID 10120494HCID 10120494, compound

Sources & evidence

ORD record
ord-ddf8f549cd394510be3ddd66a6ac4197
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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