Acetonitrile → 2-(4-Bromo-3-[1,3]dioxolan-2-yl-phenoxy)-6-(2-methoxy-ethylamino)-nicotinonitrile

HRID 678229Notes

Reaction equation

HRID 678229 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([C:11]#[N:12])[c:13]([Cl:14])[n:15]2)[cH:16][c:17]1[CH:18]1[O:19][CH2:20][CH2:21][O:22]1.[Br:23][c:24]1[c:25]([CH:40]2[O:41][CH2:42][CH2:43][O:44]2)[cH:26][c:27]([O:28][c:29]2[c:30]([C:31]#[N:32])[cH:33][cH:34][c:35]([Cl:37])[n:36]2)[cH:38][cH:39]1.[Br:45][c:46]1[cH:47][cH:48][c:49]([O:50][c:51]2[cH:52][cH:53][c:54]([C:55]#[N:56])[c:57]([Cl:58])[n:59]2)[cH:60][c:61]1[CH:62]1[O:63][CH2:64][CH2:65][O:66]1.[CH3:67][O:68][CH2:69][CH2:70][NH2:71].[CH3:72][C:73]#[N:74]>>[Br:23][c:24]1[c:25]([CH:40]2[O:41][CH2:42][CH2:43][O:44]2)[cH:26][c:27]([O:28][c:29]2[c:30]([C:31]#[N:32])[cH:33][cH:34][c:35]([NH:71][CH2:70][CH2:69][O:68][CH3:67])[n:36]2)[cH:38][cH:39]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 80182-MethoxyethylamineHCID 57968783HCID 57968783, compoundHCID 86636428HCID 86636428, compound2×

Product 1

HCID 579690212-(4-Bromo-3-[1,3]dioxolan-2-yl-phenoxy)-6-(2-methoxy-ethylamino)-nicotinonitrile

Sources & evidence

ORD record
ord-e439fe9462124e65ade0b2e8b91546c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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