Hydrochloric Acid → 2-[[4-[(2-Oxochromen-7-yl)methylamino]piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

HRID 190468Notes

Reaction equation

HRID 190468 reaction equation
[C:50]([O:51][BH-:52]([O:53][C:54](=[O:55])[CH3:56])[O:57][C:58](=[O:59])[CH3:60])(=[O:61])[CH3:62].[CH3:67][OH:68].[Cl:64][CH2:65][Cl:66].[ClH:1].[ClH:2].[NH2:3][CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][CH:11]2[CH2:12][n:13]3[c:14](=[O:24])[cH:15][cH:16][c:17]4[cH:18][cH:19][c:20](=[O:23])[n:21]2[c:22]34)[CH2:8][CH2:9]1.[Na+:42].[Na+:43].[Na+:44].[Na+:63].[O-:38][C:39]([OH:40])=[O:41].[O-:45][S:46](=[O:47])(=[O:48])[O-:49].[O:25]=[c:26]1[o:27][c:28]2[cH:29][c:30]([CH:36]=[O:37])[cH:31][cH:32][c:33]2[cH:34][cH:35]1>>[NH:3]([CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][CH:11]2[CH2:12][n:13]3[c:14](=[O:24])[cH:15][cH:16][c:17]4[cH:18][cH:19][c:20](=[O:23])[n:21]2[c:22]34)[CH2:8][CH2:9]1)[CH2:36][c:30]1[cH:29][c:28]2[o:27][c:26](=[O:25])[cH:35][cH:34][c:33]2[cH:32][cH:31]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion4×HCID 1117Sulfate IonHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 120887742-Oxo-2H-chromene-7-carbaldehydeHCID 580017221-[(4-Amino-1-piperidinyl)methyl]-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridine-4,9-dione

Product 1

HCID 1395023972-[[4-[(2-Oxochromen-7-yl)methylamino]piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

Sources & evidence

ORD record
ord-b9c87b40318e4f898ea44b962385247b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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