Acetic Acid → GA0113

HRID 1548449Notes

Reaction equation

HRID 1548449 reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1[CH2:14][c:15]1[cH:16][c:17]2[cH:18][cH:19][c:20](-[c:25]3[c:26]([NH2:27])[cH:28][cH:29][cH:30][cH:31]3)[n:21][c:22]2[cH:23][cH:24]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:47][C:48](=[O:49])[OH:50].[CH:51]([Cl:52])([Cl:53])[Cl:54].[OH:39][S:40](=[O:41])(=[O:42])[C:43]([F:44])([F:45])[F:46]>>[CH2:1]([CH3:2])[c:3]1[n:4][c:5]2[c:6]([n:7][c:8]([CH3:12])[cH:9][c:10]2[CH3:11])[n:13]1[CH2:14][c:15]1[cH:16][c:17]2[cH:18][cH:19][c:20](-[c:25]3[c:26]([NH:27][S:40](=[O:39])(=[O:41])[C:43]([F:44])([F:45])[F:46])[cH:28][cH:29][cH:30][cH:31]3)[n:21][c:22]2[cH:23][cH:24]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 6212ChloroformHCID 8471TriethylamineHCID 62406Trifluoromethanesulfonic acidHCID 154636382-{6-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl}aniline

Product 1

HCID 9958907GA0113

Sources & evidence

ORD record
ord-0efba53e588d4aa28fac9a030d88001b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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