Toluene → HCID 24842681, compound

HRID 317613

Reaction equation

HRID 317613 reaction equation
[CH2:33]([CH3:34])[CH:35]1[NH:36][CH2:37][CH2:38][CH2:39][CH2:40]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:27][C:28]([O:29][CH2:30][CH3:31])=[O:32].[c:1]1(-[c:7]2[n:8][c:9]([C:17](=[O:18])[OH:19])[cH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]([C:17](=[O:18])[N:36]3[CH:35]([CH2:33][CH3:34])[CH2:40][CH2:39][CH2:38][CH2:37]3)[cH:10][c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 942052-EthylpiperidineHCID 4078961-Phenylisoquinoline-3-carboxylic acid

Product 1

HCID 24842681HCID 24842681, compound

Sources & evidence

ORD record
ord-960f066f59d34d858832a47964defc87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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