Water → HCID 178514802, compound

HRID 679594Notes

Reaction equation

HRID 679594 reaction equation
[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[OH2:8].[S:9]([NH2:10])([O:11][CH2:12][CH:13]1[O:14][CH:15]([n:23]2[c:24]3[n:25][cH:26][n:27][c:28]([NH:32][C:33]([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)=[O:40])[c:29]3[n:30][cH:31]2)[CH:16]2[O:17][C:18]([CH3:21])([CH3:22])[O:19][CH:20]12)(=[O:41])=[O:42]>>[S:9]([NH2:10])([O:11][CH2:12][CH:13]1[O:14][CH:15]([n:23]2[c:24]3[n:25][cH:26][n:27][c:28]([NH:32][C:33]([c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)=[O:40])[c:29]3[n:30][cH:31]2)[CH:16]([OH:17])[CH:20]1[OH:19])(=[O:41])=[O:42]

Participants

4

Sources & evidence

ORD record
ord-9baee30519c04cd8b60aa3eafe54f0ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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