Acetic Acid → HCID 58102789, compound

HRID 678831Notes

Reaction equation

HRID 678831 reaction equation
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:43][C:44](=[O:45])[OH:46].[CH3:8][Si:9]([N-:10][Si:11]([CH3:12])([CH3:13])[CH3:14])([CH3:15])[CH3:16].[Cl:18][c:19]1[n:20][c:21](-[n:31]2[c:32]([CH:40]([F:41])[F:42])[n:33][c:34]3[c:35]2[cH:36][cH:37][cH:38][cH:39]3)[n:22][c:23]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[n:24]1.[Li+:17].[NH2:1][c:2]1[n:3][cH:4][cH:5][cH:6][cH:7]1.[OH2:52]>>[NH:1]([c:2]1[n:3][cH:4][cH:5][cH:6][cH:7]1)[c:19]1[n:20][c:21](-[n:31]2[c:32]([CH:40]([F:41])[F:42])[n:33][c:34]3[c:35]2[cH:36][cH:37][cH:38][cH:39]3)[n:22][c:23]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[n:24]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 104392-AminopyridineHCID 28486Lithium ionHCID 3280088Npc316347HCID 220368724-(4-chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine

Product 1

HCID 58102789HCID 58102789, compound

Sources & evidence

ORD record
ord-80fb230a72564aac899ea9430a1db576
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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