Hydrochloric Acid → tert-butyl 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

HRID 141823Notes

Reaction equation

HRID 141823 reaction equation
[C:40]([O:41][BH-:42]([O:43][C:44](=[O:45])[CH3:46])[O:47][C:48](=[O:49])[CH3:50])(=[O:51])[CH3:52].[CH2:2]1[NH:3][CH2:4][C:5]12[CH2:6][CH2:7][N:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:9][CH2:10]2.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:57][CH:58]([CH3:59])[O-:60].[CH3:62][CH:63]([CH3:64])[O-:65].[CH3:66][CH:67]([CH3:68])[O-:69].[CH3:70][CH:71]([CH3:72])[O-:73].[Cl:54][CH2:55][Cl:56].[ClH:1].[Na+:53].[Ti+4:61].[n:18]1[n:19](-[c:23]2[cH:24][c:25]3[c:29]([cH:30][cH:31]2)[C:28](=[O:32])[CH2:27][CH2:26]3)[n:20][cH:21][cH:22]1>>[CH2:2]1[N:3]([CH:28]2[CH2:27][CH2:26][c:25]3[cH:24][c:23](-[n:19]4[n:18][cH:22][cH:21][n:20]4)[cH:31][cH:30][c:29]32)[CH2:4][C:5]12[CH2:6][CH2:7][N:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:9][CH2:10]2

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 114942Titanium cation (4+)HCID 2724942TriacetoxyborohydrideHCID 3260420Isopropanolate4×HCID 24820512tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylateHCID 584384785-(2H-1,2,3-Triazol-2-yl)indan-1-one

Product 1

HCID 77286772tert-butyl 2-[5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

Sources & evidence

ORD record
ord-a2f6a20cfc5c424aab8da23f79910e8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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