Chloride → HCID 178483979, compound

HRID 89651Notes

Reaction equation

HRID 89651 reaction equation
[CH3:30][NH:31][CH2:32][CH2:33][CH2:34][S:35][CH2:36][c:37]1[n:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:45][N:46]1[CH2:47][CH2:48][CH2:49][C:50]1=[O:51].[Cl-:44].[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+:43]>>[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[n:38][cH:39][cH:40][cH:41][cH:42]1

Participants

6

Reactant 5

HCID 312ChlorideHCID 923Sodium ionHCID 13387N-methyl-2-pyrrolidoneHCID 15485806N-methyl-3-(pyridin-2-ylmethylsulfanyl)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 178483979HCID 178483979, compound

Sources & evidence

ORD record
ord-757faf22c1f34fdf85adc6637c28f9a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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