p-Toluenesulfonate → HCID 73690429, compound

HRID 2314365Notes

Reaction equation

HRID 2314365 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][c:11]([N+:18]([O-:19])=[O:20])[c:12]([NH:15][CH2:16][CH3:17])[cH:13][cH:14]1.[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[N:39]1[CH2+:40]([S:55][CH3:56])[S:41][C:42](=[C:45]2[S:46][c:47]3[c:48]([cH:51][cH:52][cH:53][cH:54]3)[N:49]2[CH3:50])[C:43]1=[O:44].[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([O-:27])(=[O:28])=[O:29])[cH:30][cH:31]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][c:11]([N:18]=[C:40]2[N:39]([CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[C:43](=[O:44])[C:42](=[C:45]3[S:46][c:47]4[c:48]([cH:51][cH:52][cH:53][cH:54]4)[N:49]3[CH3:50])[S:41]2)[c:12]([NH:15][CH2:16][CH3:17])[cH:13][cH:14]1

Participants

3

Reactant 2

HCID 85570p-ToluenesulfonateHCID 21937555HCID 21937555, compound

Product 1

HCID 73690429HCID 73690429, compound

Sources & evidence

ORD record
ord-072231bf5ff04abd83cfd8b91e811912
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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