Acetonitrile → HCID 19899627, compound

HRID 1537664Notes

Reaction equation

HRID 1537664 reaction equation
[CH3:1][O:2][c:3]1[n:4][c:5]([NH:11][C:12]([O:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[n:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:48][C:49]#[N:50].[N:37]12[CH2:38][CH2:39][CH2:40][N:41]=[C:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2.[S:21]([NH2:22])([O:23][c:24]1[c:25]([O:30][CH2:31][CH2:32][O:33][CH3:34])[cH:26][cH:27][cH:28][cH:29]1)(=[O:35])=[O:36]>>[CH3:1][O:2][c:3]1[n:4][c:5]([NH:11][C:12](=[O:20])[NH:22][S:21]([O:23][c:24]2[c:25]([O:30][CH2:31][CH2:32][O:33][CH3:34])[cH:26][cH:27][cH:28][cH:29]2)(=[O:35])=[O:36])[n:6][c:7]([O:9][CH3:10])[cH:8]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 10945667Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl esterHCID 19899629HCID 19899629, compound

Product 1

HCID 19899627HCID 19899627, compound

Sources & evidence

ORD record
ord-2c6a40361745430c93507ff598c047b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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