Acetonitrile → HCID 178429023, compound

HRID 114056Notes

Reaction equation

HRID 114056 reaction equation
[C:1]([n:2]1[cH:3][cH:4][n:5][cH:6]1)([n:7]1[cH:8][cH:9][n:10][cH:11]1)=[O:12].[C:39]([c:40]1[nH:41][n:42][n:43][n:44]1)(=[O:45])[NH2:46].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:26][c:27]1[cH:28][c:29]([O:35][CH:36]([CH3:37])[CH3:38])[c:30]([C:32](=[O:33])[OH:34])[o:31]1.[CH3:47][C:48]#[N:49].[NH2:13][c:14]1[n:15][n:16][n:17][nH:18]1>>[NH:13]([c:14]1[n:15][n:16][n:17][nH:18]1)[C:32]([c:30]1[c:29]([O:35][CH:36]([CH3:37])[CH3:38])[cH:28][c:27]([CH3:26])[o:31]1)=[O:33]

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 682631,1'-CarbonyldiimidazoleHCID 21243563HCID 21243563, compoundHCID 178509299HCID 178509299, compoundHCID 178513865HCID 178513865, compound

Product 1

HCID 178429023HCID 178429023, compound

Sources & evidence

ORD record
ord-4d38bd333fc0414d9fe97f89ed924565
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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