Water → HCID 10458492, compound

HRID 2347887Notes

Reaction equation

HRID 2347887 reaction equation
[CH3:1][C:2]([CH3:3])([O:4][N:5]([C:6](=[O:7])[O-:8])[CH:9]([C:10](=[O:11])[NH:12][c:13]1[cH:14][c:15]([NH:21][c:22]2[n:23][cH:24][c:25]([Br:32])[c:26]([O:28][CH2:29][C:30]#[CH:31])[n:27]2)[cH:16][c:17]([CH2:19][OH:20])[cH:18]1)[CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH3:40].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:46].[S:41](=[O:42])(=[O:43])([OH:44])[OH:45]>>[NH2:5][CH:9]([C:10](=[O:11])[NH:12][c:13]1[cH:14][c:15]([NH:21][c:22]2[n:23][cH:24][c:25]([Br:32])[c:26]([O:28][CH2:29][C:30]#[CH:31])[n:27]2)[cH:16][c:17]([CH2:19][OH:20])[cH:18]1)[CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1

Participants

5

Reactant 4

HCID 962WaterHCID 1118Sulfuric AcidHCID 312751,4-DioxaneHCID 178458942HCID 178458942, compound

Product 1

HCID 10458492HCID 10458492, compound

Sources & evidence

ORD record
ord-9e5e1f24643945b0b9c9e1a7a83a44ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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