Methanesulfonyl chloride → HCID 67545071, compound

HRID 1216267Notes

Reaction equation

HRID 1216267 reaction equation
[CH3:45][S:46](=[O:47])(=[O:48])[Cl:49].[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:20]([CH:21]3[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]3)[CH2:34][CH2:35][CH2:36][OH:37])[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[n:13]1)[cH:38][cH:39][cH:40][c:41]2[O:42][CH3:43])[F:44].[N:50]1([C:56](=[O:57])[O:58][C:59]([CH3:60])([CH3:61])[CH3:62])[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]1>>[F:1][CH:2]([c:3]1[n:4][c:5]2[c:6]([n:7]1-[c:8]1[n:9][c:10]([N:20]([CH:21]3[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]3)[CH2:34][CH2:35][CH2:36][N:53]3[CH2:52][CH2:51][N:50]([C:56](=[O:57])[O:58][C:59]([CH3:60])([CH3:61])[CH3:62])[CH2:55][CH2:54]3)[n:11][c:12]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[n:13]1)[cH:38][cH:39][cH:40][c:41]2[O:42][CH3:43])[F:44]

Participants

4

Reactant 3

HCID 31297Methanesulfonyl chlorideHCID 143452tert-Butyl piperazine-1-carboxylateHCID 66698065tert-butyl 4-[[4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl](3-hydroxypropyl)amino]-1-piperidinecarboxylate

Product 1

HCID 67545071HCID 67545071, compound

Sources & evidence

ORD record
ord-701a71ab5c3c44cab554913fe26cf945
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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