Hydrochloric Acid → HCID 54771974, compound

HRID 313799Notes

Reaction equation

HRID 313799 reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[c:32]1[cH:33][cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40]1.[ClH:1].[ClH:2].[ClH:3].[O:4]1[CH2:5][CH2:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH2:27])[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]21>>[O:4]1[CH2:5][CH2:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH:27][C:36]([c:35]5[cH:34][cH:33][c:32]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:40][cH:39]5)=[O:37])[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]21

Participants

4

Reactant 3

HCID 313Hydrochloric Acid3×HCID 74034-tert-Butylbenzoic acidHCID 585673424-[2-[4-(2,3-Dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

Product 1

HCID 54771974HCID 54771974, compound

Sources & evidence

ORD record
ord-619ee0323f984341a85f9cf5b8bb6985
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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