Ethanol → HCID 10437193, compound

HRID 141630Notes

Reaction equation

HRID 141630 reaction equation
[CH3:56][CH2:57][OH:58].[OH:1][c:2]1[cH:3][c:4]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]3[c:22]([cH:23][cH:24]2)-[c:21]2[c:16]([cH:17][c:18]([S:25](=[O:26])(=[O:27])[NH:28][c:29]4[cH:30][c:31]([OH:35])[cH:32][cH:33][cH:34]4)[cH:19][cH:20]2)[C:15]3=[N:36][NH:37][C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[cH:5][cH:6][cH:7]1.[c:45]1([CH3:46])[cH:47][cH:48][c:49]([S:50]([OH:51])(=[O:52])=[O:53])[cH:54][cH:55]1>>[OH:1][c:2]1[cH:3][c:4]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]3[c:22]([cH:23][cH:24]2)-[c:21]2[c:16]([cH:17][c:18]([S:25](=[O:26])(=[O:27])[NH:28][c:29]4[cH:30][c:31]([OH:35])[cH:32][cH:33][cH:34]4)[cH:19][cH:20]2)[C:15]3=[N:36][NH2:37])[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 702EthanolHCID 6101p-Toluenesulfonic acidHCID 12093194HCID 12093194, compound

Product 1

HCID 10437193HCID 10437193, compound

Sources & evidence

ORD record
ord-7ca92ba5ddcc441ebc5fedf0ee6efa28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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