Toluene → HCID 86613959, compound

HRID 1238463Notes

Reaction equation

HRID 1238463 reaction equation
[CH3:33][C:34]1=[C:45]([C:46]([O:47][CH2:48][CH3:49])=[O:50])[CH2:44][C:38]([C:39]([O:40][CH2:41][CH3:42])=[O:43])=[C:36]([CH3:37])[NH:35]1.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:1]1(-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:2][cH:3][c:4]([CH2:7][N:8]2[C:9](=[O:26])[CH2:10][CH2:11][c:12]3[c:13]([CH:18]=[C:19]4[C:20](=[O:25])[NH:21][C:22](=[S:24])[S:23]4)[cH:14][cH:15][cH:16][c:17]32)[cH:5][cH:6]1>>[c:1]1(-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:2][cH:3][c:4]([CH2:7][N:8]2[C:9](=[O:26])[CH2:10][CH2:11][c:12]3[c:13]([CH2:18][CH:19]4[C:20](=[O:25])[NH:21][C:22](=[S:24])[S:23]4)[cH:14][cH:15][cH:16][c:17]32)[cH:5][cH:6]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 70849Hantzsch esterHCID 86613957HCID 86613957, compound

Product 1

HCID 86613959HCID 86613959, compound

Sources & evidence

ORD record
ord-775c753407d54b8b8feed54bad0bae2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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