Chloride → HCID 178483978, compound

HRID 1150156Notes

Reaction equation

HRID 1150156 reaction equation
[CH3:30][NH:31][CH2:32][CH2:33][CH2:34][S:35][CH2:36][c:37]1[cH:38][cH:39][c:40]([C:43]([F:44])([F:45])[F:46])[cH:41][cH:42]1.[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[Cl-:48].[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+:47]>>[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][c:37]1[cH:38][cH:39][c:40]([C:43]([F:44])([F:45])[F:46])[cH:41][cH:42]1

Participants

6

Reactant 5

HCID 312ChlorideHCID 923Sodium ionHCID 13387N-methyl-2-pyrrolidoneHCID 15485807N-methyl-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-1-amineHCID 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 178483978HCID 178483978, compound

Sources & evidence

ORD record
ord-ee877919dec3488190510d66a740e64b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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