Acetonitrile → HCID 59000772, compound

HRID 113158Notes

Reaction equation

HRID 113158 reaction equation
[CH2:15]([CH3:16])[O:17][C:18](=[O:19])[c:20]1[c:21]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[c:22]([CH2:41][CH2:42][CH2:43][OH:44])[n:23]2[n:24][c:25]([N:35]3[CH2:36][CH2:37][O:38][CH2:39][CH2:40]3)[cH:26][c:27](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:28]12.[CH2:1]([CH3:2])[N:3]=[C:4]=[O:5].[CH3:50][C:51]#[N:52].[CH:6]([N:7]([CH:8]([CH3:9])[CH3:10])[CH2:11][CH3:12])([CH3:13])[CH3:14]>>[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[O:44][CH2:43][CH2:42][CH2:41][c:22]1[c:21]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[c:20]([C:18]([O:17][CH2:15][CH3:16])=[O:19])[c:28]2[n:23]1[n:24][c:25]([N:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1)[cH:26][c:27]2-[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8022Ethyl isocyanateHCID 81531DiisopropylethylamineHCID 52943384HCID 52943384, compound

Product 1

HCID 59000772HCID 59000772, compound

Sources & evidence

ORD record
ord-f62f83a45f00427fb1a98e4c90fbee8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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