p-Toluenesulfonate → HCID 73855042, compound

HRID 126341Notes

Reaction equation

[CH2:1]([CH3:2])[NH:3][c:4]1[c:5]([N+:21]([O-:22])=[O:23])[cH:6][c:7]([NH:8][C:9]([CH2:10][N:11]2[CH2:12][CH2:13][N:14]([CH3:17])[CH2:15][CH2:16]2)=[O:18])[cH:19][cH:20]1.[CH2:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[N:42]1[CH2+:43]([S:58][CH3:59])[S:44][C:45](=[C:48]2[S:49][c:50]3[c:51]([cH:54][cH:55][cH:56][cH:57]3)[N:52]2[CH3:53])[C:46]1=[O:47].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([O-:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[CH2:1]([CH3:2])[NH:3][c:4]1[c:5]([N:21]=[C:43]2[N:42]([CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[C:46](=[O:47])[C:45](=[C:48]3[S:49][c:50]4[c:51]([cH:54][cH:55][cH:56][cH:57]4)[N:52]3[CH3:53])[S:44]2)[cH:6][c:7]([NH:8][C:9]([CH2:10][N:11]2[CH2:12][CH2:13][N:14]([CH3:17])[CH2:15][CH2:16]2)=[O:18])[cH:19][cH:20]1

Participants

Reactant 2

HCID 85570p-Toluenesulfonate

HCID 21937596HCID 21937596, compound

Product 1

HCID 73855042HCID 73855042, compound

Sources & evidence

ORD record: ord-fcb6cd716bc14196a6e19e686ae1b41f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…