Toluene → Hydrochloric Acid

HRID 1549556Notes

Reaction equation

HRID 1549556 reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:27]1([C:30](=[O:31])[Cl:32])[CH2:28][CH2:29]1.[c:1]1([NH:7][C:8]2([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:32].[c:1]1([N:7]([C:8]2([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:12][CH2:13]2)[C:30]([CH:27]2[CH2:28][CH2:29]2)=[O:31])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 4

HCID 1140TolueneHCID 8471TriethylamineHCID 77637Cyclopropanecarbonyl chlorideHCID 12298147Ethyl 1-phenethyl-4-(phenylamino)piperidine-4-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 12297999ethyl 4-[N-(cyclopropanecarbonyl)anilino]-1-(2-phenylethyl)piperidine-4-carboxylate

Sources & evidence

ORD record
ord-c251f219e55d4de0859d3132aa3e4920
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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