Sodium ion → 2-(difluoromethyl)-1-[4-(4-morpholinyl)-6-(phenylsulfanyl)-1,3,5-triazin-2-yl]-1H-benzimidazole

HRID 103966

Reaction equation

HRID 103966 reaction equation
[CH3:35][O:36][CH2:37][CH2:38][O:39][CH2:40][CH2:41][N:42]([CH2:43][CH2:44][O:45][CH2:46][CH2:47][O:48][CH3:49])[CH2:50][CH2:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cl:10][c:11]1[n:12][c:13](-[n:23]2[c:24]([CH:32]([F:33])[F:34])[n:25][c:26]3[c:27]2[cH:28][cH:29][cH:30][cH:31]3)[n:14][c:15]([N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:16]1.[Na+:9].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[OH-:8].[OH2:57].[SH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[S:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:11]1[n:12][c:13](-[n:23]2[c:24]([CH:32]([F:33])[F:34])[n:25][c:26]3[c:27]2[cH:28][cH:29][cH:30][cH:31]3)[n:14][c:15]([N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[n:16]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 7969ThiophenolHCID 312751,4-DioxaneHCID 112414Ethanamine, 2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]-HCID 220368724-(4-chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine

Product 1

HCID 581028072-(difluoromethyl)-1-[4-(4-morpholinyl)-6-(phenylsulfanyl)-1,3,5-triazin-2-yl]-1H-benzimidazole

Sources & evidence

ORD record
ord-67aa50117419403da35e38bb6a458f3a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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