Chloride → HCID 178483406, compound

HRID 96396Notes

Reaction equation

HRID 96396 reaction equation
[CH3:27][NH:28][CH2:29][CH2:30][CH2:31][S:32][CH2:33][c:34]1[cH:35][cH:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][cH:39]1.[CH3:46][N:47]1[CH2:48][CH2:49][CH2:50][C:51]1=[O:52].[Cl-:45].[I:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]1[CH:8]2[c:9]3[cH:10][cH:11][c:12]([OH:26])[cH:13][c:14]3[CH2:15][CH2:16][CH:17]2[CH:18]2[CH2:19][CH2:20][CH:21]([OH:25])[C:22]2([CH3:23])[CH2:24]1.[Na+:44]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH:7]1[CH:8]2[c:9]3[cH:10][cH:11][c:12]([OH:26])[cH:13][c:14]3[CH2:15][CH2:16][CH:17]2[CH:18]2[CH2:19][CH2:20][CH:21]([OH:25])[C:22]2([CH3:23])[CH2:24]1)[N:28]([CH3:27])[CH2:29][CH2:30][CH2:31][S:32][CH2:33][c:34]1[cH:35][cH:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][cH:39]1

Participants

6

Reactant 5

HCID 312ChlorideHCID 923Sodium ionHCID 13387N-methyl-2-pyrrolidoneHCID 15485807N-methyl-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-1-amineHCID 178421212HCID 178421212, compound

Product 1

HCID 178483406HCID 178483406, compound

Sources & evidence

ORD record
ord-3c0b5d5dfa4b4a9bbaefd1cf48c9be20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…