Water → HCID 178476416, compound

HRID 691455Notes

Reaction equation

HRID 691455 reaction equation
[C:12]([CH3:13])(=[O:14])[O:15][CH2:16][C:17]([CH:18]1[CH2:19][CH2:20][CH:21]2[CH:22]3[CH2:23][CH2:24][CH:25]4[CH2:26][CH:27]([OH:38])[CH2:28][CH2:29][C:30]4([CH3:31])[CH:32]3[C:33](=[O:37])[CH2:34][C:35]12[CH3:36])=[O:39].[OH2:40].[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[Cl:10])[cH:5][cH:6]1.[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[O:38][CH:27]2[CH2:26][CH:25]3[CH2:24][CH2:23][CH:22]4[CH:21]5[CH2:20][CH2:19][CH:18]([C:17]([CH2:16][O:15][C:12]([CH3:13])=[O:14])=[O:39])[C:35]5([CH3:36])[CH2:34][C:33](=[O:37])[CH:32]4[C:30]3([CH3:31])[CH2:29][CH2:28]2)[cH:5][cH:6]1

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 73974-Toluenesulfonyl chlorideHCID 91061[2-(3-Hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate

Product 1

HCID 178476416HCID 178476416, compound

Sources & evidence

ORD record
ord-fb4583767e4f4252b211221a462947a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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