Hydrochloric Acid → 2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-1-[2-[5-(2-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

HRID 1232184Notes

Reaction equation

HRID 1232184 reaction equation
[C:22]([n:23]1[cH:24][cH:25][n:26][cH:27]1)([n:28]1[cH:29][cH:30][n:31][cH:32]1)=[O:33].[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:36][c:37]1[n:38][cH:39][cH:40][c:41](-[c:43]2[cH:44][c:45]3[c:49]([cH:50][cH:51]2)[CH:48]([N:52]2[CH2:53][C:54]4([CH2:55]2)[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]4)[CH2:47][CH2:46]3)[n:42]1.[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[Cl:68][CH2:69][Cl:70].[ClH:34].[ClH:35].[O:1]1[CH2:2][CH2:3][O:4][c:5]2[n:6][c:7]([CH2:11][C:12](=[O:13])[OH:14])[cH:8][cH:9][c:10]21.[OH2:67]>>[O:1]1[CH2:2][CH2:3][O:4][c:5]2[n:6][c:7]([CH2:11][C:12](=[O:14])[N:58]3[CH2:57][CH2:56][C:54]4([CH2:53][N:52]([CH:48]5[CH2:47][CH2:46][c:45]6[cH:44][c:43](-[c:41]7[cH:40][cH:39][n:38][c:37]([CH3:36])[n:42]7)[cH:51][cH:50][c:49]65)[CH2:55]4)[CH2:60][CH2:59]3)[cH:8][cH:9][c:10]21

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 682631,1'-CarbonyldiimidazoleHCID 584384832-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)acetic acidHCID 767863422-[5-(2-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane

Product 1

HCID 533912992-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-1-[2-[5-(2-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

Sources & evidence

ORD record
ord-c5031a2352bd42b5a7781d08c9fd63d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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