Acetic Acid → HCID 44612496, compound

HRID 675532Notes

Reaction equation

HRID 675532 reaction equation
[C:30]([OH:31])(=[O:32])[CH3:33].[CH2:34]([O:35][C:37]1([O:36][Si:40]([CH3:41])([CH3:42])[CH3:43])[CH2:38][CH2:39]1)[CH3:44].[CH3:47][OH:48].[Cl-:45].[Cl:1][c:2]1[c:3]([NH:23][c:24]2[n:25][nH:26][c:27]([CH3:29])[cH:28]2)[n:4][c:5]([NH:8][c:9]2[c:10]([F:22])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1.[NH4+:46]>>[Cl:1][c:2]1[c:3]([NH:23][c:24]2[n:25][nH:26][c:27]([CH3:29])[cH:28]2)[n:4][c:5]([NH:8][c:9]2[c:10]([F:22])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][N:19]([CH:37]4[CH2:38][CH2:39]4)[CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 2734686(1-Ethoxycyclopropoxy)trimethylsilaneHCID 446126165-chloro-N2-(2-fluoro-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

Product 1

HCID 44612496HCID 44612496, compound

Sources & evidence

ORD record
ord-b2fbec0045ad483aac50eeb7aca97fbc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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