p-Toluenesulfonate → HCID 73690450, compound

HRID 302620Notes

Reaction equation

[CH2:1]([CH3:2])[NH:3][c:4]1[c:5]([N+:20]([O-:21])=[O:22])[cH:6][c:7]([NH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]2)[cH:8][cH:9]1.[CH2:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[N:41]1[CH2+:42]([S:57][CH3:58])[S:43][C:44](=[C:47]2[S:48][c:49]3[c:50]([cH:53][cH:54][cH:55][cH:56]3)[N:51]2[CH3:52])[C:45]1=[O:46].[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([O-:29])(=[O:30])=[O:31])[cH:32][cH:33]1>>[CH2:1]([CH3:2])[NH:3][c:4]1[c:5]([N:20]=[C:42]2[N:41]([CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[C:45](=[O:46])[C:44](=[C:47]3[S:48][c:49]4[c:50]([cH:53][cH:54][cH:55][cH:56]4)[N:51]3[CH3:52])[S:43]2)[cH:6][c:7]([NH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH3:19])[CH2:17][CH2:18]2)[cH:8][cH:9]1

Participants

Reactant 2

HCID 85570p-Toluenesulfonate

HCID 20626665HCID 20626665, compound

Product 1

HCID 73690450HCID 73690450, compound

Sources & evidence

ORD record: ord-d194f59537a841b585ca0387c77f97d3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…