Acetic Acid → ethyl 2-[6-oxo-2-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-4-yl]acetate

HRID 1211562Notes

Reaction equation

HRID 1211562 reaction equation
[C:44]([OH:45])(=[O:46])[CH3:47].[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[Na+:61].[O:1]=[C:2]1[NH:3][c:4]2[n:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][c:12]1[c:13]([cH:14][c:15]3[cH:16][cH:17][c:18]([CH:22]=[O:23])[n:19][c:20]3[cH:21]1)[CH2:24]2.[O:25]=[C:26]1[NH:27][c:28]2[cH:29][cH:30][cH:31][c:32]3[c:33]2[C:34]([CH2:38][C:39](=[O:40])[O:41][CH2:42][CH3:43])([CH2:35]1)[CH2:36][NH:37]3>>[O:1]=[C:2]1[NH:3][c:4]2[n:5][cH:6][cH:7][cH:8][c:9]2[C:10]12[CH2:11][c:12]1[c:13]([cH:14][c:15]3[cH:16][cH:17][c:18]([CH2:22][N:37]4[c:32]5[cH:31][cH:30][cH:29][c:28]6[c:33]5[C:34]([CH2:38][C:39](=[O:40])[O:41][CH2:42][CH3:43])([CH2:35][C:26](=[O:25])[NH:27]6)[CH2:36]4)[n:19][c:20]3[cH:21]1)[CH2:24]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 2724942TriacetoxyborohydrideHCID 57663768ethyl (4-oxo-1,2,4,5-tetrahydropyrrolo[4,3,2-de]quinolin-2a(3H)-yl)acetateHCID 57897365(+/-)-2'-Oxo-1',2',6,8-tetrahydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridine]-2-carbaldehyde

Product 1

HCID 23582861ethyl 2-[6-oxo-2-[(2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2'-yl)methyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-4-yl]acetate

Sources & evidence

ORD record
ord-588aeb8a36d546b39953c3f347b83484
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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