Hydrochloric Acid → HCID 86592785, compound

HRID 291847Notes

Reaction equation

[C:39](=[O:40])([OH:41])[O-:42].[CH3:44][CH2:45][OH:46].[ClH:38].[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([N:15]([C:16](=[O:17])[CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[CH2:24][c:25]3[cH:26][c:27]([O:31][CH:32]4[CH2:33][CH2:34][CH2:35][CH2:36][O:37]4)[cH:28][cH:29][cH:30]3)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Na+:43]>>[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([N:15]([C:16](=[O:17])[CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[CH2:24][c:25]3[cH:26][c:27]([OH:31])[cH:28][cH:29][cH:30]3)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 702Ethanol

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 86592786Cyclohexanecarboxylic acid [4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-[3-(tetrahydro-pyran-2-yloxy)-benzyl]-amide

Product 1

HCID 86592785HCID 86592785, compound

Sources & evidence

ORD record: ord-67519cc88204449cabe64b368860a23d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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