Dimethylformamide → 6-tert-butyl-N-(quinolin-4-ylmethyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide

HRID 147518Notes

Reaction equation

HRID 147518 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:8]([cH:16][cH:17]1)[O:9][CH:10]([C:13](=[O:14])[OH:15])[CH2:11][O:12]2.[CH3:37][N+:38]([CH3:39])=[C:40]([N:41]([CH3:42])[CH3:43])[O:44][n:45]1[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1.[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1.[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:18]1[cH:19][cH:20][c:21]([CH2:28][NH2:29])[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:8]([cH:16][cH:17]1)[O:9][CH:10]([C:13](=[O:15])[NH:29][CH2:28][c:21]1[cH:20][cH:19][n:18][c:27]3[c:22]1[cH:23][cH:24][cH:25][cH:26]3)[CH2:11][O:12]2

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 6503896-tert-Butyl-2,3-dihydro-benzo[1,4]dioxine-2-carboxylic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 12017326Quinolin-4-ylmethanamine

Product 1

HCID 441943916-tert-butyl-N-(quinolin-4-ylmethyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide

Sources & evidence

ORD record
ord-c3a4c19573ea47b4a79b2e3a07c6587c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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