Acetonitrile → HCID 71209027, compound

HRID 2159274Notes

Reaction equation

HRID 2159274 reaction equation
[CH3:53][C:54]#[N:55].[CH3:56][N:57]1[CH2:58][CH2:59][CH2:60][C:61]1=[O:62].[CH:30]12[N:31]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH2:32][CH:33]([NH:34][CH2:35]1)[CH2:36]2.[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][c:10]2[cH:11][n:12](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:13]3[cH:14][c:15]([Cl:21])[cH:16][cH:17][c:18]3[c:19]2=[O:20])[cH:28][cH:29]1>>[c:2]1([N:34]2[CH:33]3[CH2:32][N:31]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[CH:30]([CH2:35]2)[CH2:36]3)[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][c:10]2[cH:11][n:12](-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:13]3[cH:14][c:15]([Cl:21])[cH:16][cH:17][c:18]3[c:19]2=[O:20])[cH:28][cH:29]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 2760898(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylateHCID 714870636-chloro-N-((7-chloro-4-oxo-1-phenyl-1,4-dihydroquinolin-3-yl)methyl)nicotinamide

Product 1

HCID 71209027HCID 71209027, compound

Sources & evidence

ORD record
ord-10e669ce93374b679493532a7a0658d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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