Water → HCID 19037018, compound

HRID 2158774Notes

Reaction equation

HRID 2158774 reaction equation
[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[OH2:25].[OH:1][CH:2]1[C:3]([CH2:19][O:20][CH3:21])([CH2:22][O:23][CH3:24])[O:4][c:5]2[c:6]([cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]2)[CH:7]1[C:8]([NH:9][CH3:10])=[S:11].[c:26]1([CH3:27])[cH:28][cH:29][c:30]([S:31]([OH:32])(=[O:33])=[O:34])[cH:35][cH:36]1>>[CH:2]1=[C:7]([C:8]([NH:9][CH3:10])=[S:11])[c:6]2[c:5]([cH:15][cH:14][c:13]([N+:16](=[O:17])[O-:18])[cH:12]2)[O:4][C:3]1([CH2:19][O:20][CH3:21])[CH2:22][O:23][CH3:24]

Participants

5

Sources & evidence

ORD record
ord-4486884903c34b07b657421af758077e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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