Hydrochloric Acid → Hydrochloric Acid

HRID 1153499Notes

Reaction equation

HRID 1153499 reaction equation
[CH2:28]([CH3:29])[NH:30][CH:31]1[CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[CH2:39][CH2:40]1.[CH2:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[CH2:48][CH2:49][C:50]1=[O:51].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2([C:18]#[N:19])[CH2:12][CH2:13][C:14](=[O:17])[CH2:15][CH2:16]2)[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:52][CH2:53][NH2:54].[CH3:55][CH2:56][OH:57].[ClH:27]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:11]2([C:18]#[N:19])[CH2:12][CH2:13][CH:14]([N:30]([CH2:28][CH3:29])[CH:31]3[CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][c:38]4[CH2:39][CH2:40]3)[CH2:15][CH2:16]2)[cH:6][cH:7][c:8]1[O:9][CH3:10].[ClH:27]

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6341EthylamineHCID 8471TriethylamineHCID 682662-TetraloneHCID 749913Cyclohexanecarbonitrile, 1-(3,4-dimethoxyphenyl)-4-oxo-HCID 12843074N-Ethyl-1,2,3,4-tetrahydro-2-naphthalenamine

Product 2

HCID 313Hydrochloric AcidHCID 146488991-(3,4-Dimethoxyphenyl)-4-[ethyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]cyclohexane-1-carbonitrile

Sources & evidence

ORD record
ord-6691ccb958fc46d796fa7c6d626a2460
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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