Acetonitrile → HCID 69949644, compound

HRID 312823Notes

Reaction equation

HRID 312823 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][O:11][c:12]1[cH:13][c:14]([C:15](=[O:16])[OH:17])[cH:18][c:19]([Cl:21])[cH:20]1)[c:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1.[CH3:41][C:42]#[N:43].[CH:28]1([NH:33][CH2:34][CH2:35][n:36]2[n:37][cH:38][n:39][cH:40]2)[CH2:29][CH2:30][CH2:31][CH2:32]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][O:11][c:12]1[cH:13][c:14]([C:15](=[O:17])[N:33]([CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32]2)[CH2:34][CH2:35][n:36]2[n:37][cH:38][n:39][cH:40]2)[cH:18][c:19]([Cl:21])[cH:20]1)[c:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 18348849Benzoic acid,3-chloro-5-[2-[[(1,1-dimethylethoxy)carbonyl]-4-pyridinylamino]ethoxy]-HCID 18349129HCID 18349129, compound

Product 1

HCID 69949644HCID 69949644, compound

Sources & evidence

ORD record
ord-fd86cb511ff5402fb57d5844017045e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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