Chloride → HCID 178483980, compound

HRID 184399Notes

Reaction equation

HRID 184399 reaction equation
[CH3:30][NH:31][CH2:32][CH2:33][CH2:34][S:35][CH2:36][CH2:37][CH2:38][C:39]([C:40]([F:41])([F:42])[F:43])([F:44])[F:45].[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][C:53]1=[O:54].[Cl-:47].[I:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH:11]3[c:12]4[cH:13][cH:14][c:15]([OH:29])[cH:16][c:17]4[CH2:18][CH2:19][CH:20]3[CH:21]3[CH2:22][CH2:23][CH:24]([OH:28])[C:25]3([CH3:26])[CH2:27]2)[cH:8][cH:9]1.[Na+:46]>>[CH2:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH:11]3[c:12]4[cH:13][cH:14][c:15]([OH:29])[cH:16][c:17]4[CH2:18][CH2:19][CH:20]3[CH:21]3[CH2:22][CH2:23][CH:24]([OH:28])[C:25]3([CH3:26])[CH2:27]2)[cH:8][cH:9]1)[N:31]([CH3:30])[CH2:32][CH2:33][CH2:34][S:35][CH2:36][CH2:37][CH2:38][C:39]([C:40]([F:41])([F:42])[F:43])([F:44])[F:45]

Participants

6

Reactant 5

HCID 312ChlorideHCID 923Sodium ionHCID 13387N-methyl-2-pyrrolidoneHCID 11391445HCID 11391445, compoundHCID 17842112911-[4-(2-iodoethyl)phenyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Product 1

HCID 178483980HCID 178483980, compound

Sources & evidence

ORD record
ord-2673733c091442ad9a9484ade2d290fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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