Water → HCID 68835542, compound

HRID 826578Notes

Reaction equation

HRID 826578 reaction equation
[Br:1][c:2]1[c:3]([O:33][CH2:34][C:35](=[O:36])[OH:37])[c:4]([C:30](=[O:31])[OH:32])[s:5][c:6]1-[c:7]1[cH:8][c:9]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:60].[c:52]1([CH3:59])[c:53]([NH2:58])[cH:54][cH:55][cH:56][cH:57]1>>[Br:1][c:2]1[c:3]([O:33][CH2:34][C:35](=[O:36])[NH:58][c:53]2[c:52]([CH3:59])[cH:57][cH:56][cH:55][cH:54]2)[c:4]([C:30](=[O:31])[OH:32])[s:5][c:6]1-[c:7]1[cH:8][c:9]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1

Participants

6

Sources & evidence

ORD record
ord-16455d129f7b4910bafd7ced245f30ef
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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