Hydrochloric Acid → HCID 20261682, compound

HRID 87325Notes

Reaction equation

HRID 87325 reaction equation
[Br:16][CH2:17][CH2:18][N:19]1[C:20](=[O:29])[c:21]2[c:22]([cH:25][cH:26][cH:27][cH:28]2)[C:23]1=[O:24].[CH3:1][OH:2].[CH3:31][S:32](=[O:33])[CH3:34].[ClH:30].[N+:3](=[O:4])([O-:5])[c:6]1[c:7]([OH:15])[cH:8][cH:9][c:10]([S:12][C:13]#[N:14])[cH:11]1.[OH2:35]>>[N+:3](=[O:4])([O-:5])[c:6]1[c:7]([OH:15])[cH:8][cH:9][c:10]([S:12][CH2:13][CH2:18][N:19]2[C:20](=[O:29])[c:21]3[c:22]([cH:25][cH:26][cH:27][cH:28]3)[C:23]2=[O:24])[cH:11]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 887MethanolHCID 962WaterHCID 113251H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-HCID 6072264-Hydroxy-3-nitrophenyl thiocyanate

Product 1

HCID 20261682HCID 20261682, compound

Sources & evidence

ORD record
ord-5f94f1d8cf95424ebea568030ff9173d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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