Hydrochloric Acid → Trans-4-{4-(indan-4-yl)-piperazin-1-yl-methyl}-cyclohexyl-carbamic acid tert-butylester

HRID 1133641Notes

Reaction equation

HRID 1133641 reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([NH:23][CH:24]1[CH2:25][CH2:26][CH:27]([CH:30]=[O:31])[CH2:28][CH2:29]1)=[O:32].[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].[C:54](=[O:55])([O-:56])[O-:57].[CH2:2]1[CH2:3][CH2:4][c:5]2[c:6]([N:11]3[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]3)[cH:7][cH:8][cH:9][c:10]21.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[Cl:60][CH:61]([Cl:62])[CH3:63].[ClH:1].[K+:58].[K+:59].[Na+:53].[OH2:64]>>[CH2:2]1[CH2:3][CH2:4][c:5]2[c:6]([N:11]3[CH2:12][CH2:13][N:14]([CH2:30][CH:27]4[CH2:26][CH2:25][CH:24]([NH:23][C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:32])[CH2:29][CH2:28]4)[CH2:15][CH2:16]3)[cH:7][cH:8][cH:9][c:10]21

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 63651,1-DichloroethaneHCID 8471TriethylamineHCID 19660Carbonate IonHCID 2724942TriacetoxyborohydrideHCID 11020615rac-tert-butyl N-[(1r,4r)-4-formylcyclohexyl]carbamateHCID 184748291-(2,3-Dihydro-1H-inden-4-yl)piperazine

Product 1

HCID 68580879Trans-4-{4-(indan-4-yl)-piperazin-1-yl-methyl}-cyclohexyl-carbamic acid tert-butylester

Sources & evidence

ORD record
ord-d43dd02b24c34eb282f7405b50a14c13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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