Benzene → HCID 13701395, compound

HRID 1152545Notes

Reaction equation

HRID 1152545 reaction equation
[C:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)(=[O:29])[Cl:30].[Na+:21].[OH-:20].[OH2:37].[OH:1][CH2:2][CH:3]([CH:4]1[NH:5][CH2:6][CH2:7][c:8]2[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][c:13]21)[CH2:18][OH:19].[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[OH:1][CH2:2][CH:3]([CH:4]1[N:5]([C:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)=[O:29])[CH2:6][CH2:7][c:8]2[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][c:13]21)[CH2:18][OH:19]

Participants

7

Reactant 6

HCID 241BenzeneHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 7412Benzoyl chlorideHCID 136966832-(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-propane-1,3-diol

Product 1

HCID 13701395HCID 13701395, compound

Sources & evidence

ORD record
ord-0f54f84bbf5141df9e048635a30f3e8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…