Hydrochloric Acid → tert-Butyl 5-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl)isoindoline-2-carboxylate

HRID 1215913Notes

Reaction equation

HRID 1215913 reaction equation
[B-:20]([F:21])([F:22])([F:23])[F:24].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][cH:12][c:13]([C:17](=[O:18])[OH:19])[cH:14][c:15]2[CH2:16]1.[CH:72]([N:73]([CH:74]([CH3:75])[CH3:76])[CH2:77][CH3:78])([CH3:79])[CH3:80].[ClH:53].[ClH:54].[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1.[OH2:42].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1.[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1.[n:55]1[cH:56][cH:57][c:58]([N:61]2[CH2:62][CH2:63][C:64]3([CH2:65][CH2:66]2)[CH2:67][CH2:68][NH:69][CH2:70][CH2:71]3)[cH:59][cH:60]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][cH:12][c:13]([C:17](=[O:19])[N:69]3[CH2:68][CH2:67][C:64]4([CH2:63][CH2:62][N:61]([c:58]5[cH:57][cH:56][n:55][cH:60][cH:59]5)[CH2:66][CH2:65]4)[CH2:71][CH2:70]3)[cH:14][c:15]2[CH2:16]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 159408113-(Pyridin-4-yl)-3,9-diazaspiro[5.5]undecaneHCID 164501432-(tert-Butoxycarbonyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid

Product 1

HCID 59483841tert-Butyl 5-(9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl)isoindoline-2-carboxylate

Sources & evidence

ORD record
ord-97dd6e5df2da4105a27aa7b4bac44006
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…