Ammonia → HCID 59453013, compound

HRID 2127579Notes

Reaction equation

HRID 2127579 reaction equation
[CH2:37]([CH3:38])[c:39]1[c:40]([N:49]2[CH2:50][CH2:51][N:52]([CH2:55][CH2:56][S:57](=[O:58])(=[O:59])[CH3:60])[CH2:53][CH2:54]2)[cH:41][c:42]([O:46][CH2:47][CH3:48])[c:43]([NH2:45])[cH:44]1.[CH3:79][OH:80].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH2:35][CH3:36])[c:21]([C:22](=[O:23])[NH:24][c:25]4[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[F:73][CH2:74][C:75]([F:76])([F:77])[OH:78].[NH3:72].[c:61]1([CH3:62])[cH:63][cH:64][c:65]([S:66]([OH:67])(=[O:68])=[O:69])[cH:70][cH:71]1>>[c:2]1([NH:45][c:43]2[c:42]([O:46][CH2:47][CH3:48])[cH:41][c:40]([N:49]3[CH2:50][CH2:51][N:52]([CH2:55][CH2:56][S:57](=[O:58])(=[O:59])[CH3:60])[CH2:53][CH2:54]3)[c:39]([CH2:37][CH3:38])[cH:44]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([O:34][CH2:35][CH3:36])[c:21]([C:22](=[O:23])[NH:24][c:25]4[c:26]([F:32])[cH:27][cH:28][cH:29][c:30]4[F:31])[cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1

Participants

7

Reactant 6

HCID 222AmmoniaHCID 887MethanolHCID 6101p-Toluenesulfonic acidHCID 185647Ethanol, trifluoro-HCID 59452866HCID 59452866, compoundHCID 594529415-[3-(2-chloro-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)-2-(ethyloxy)benzamide

Product 1

HCID 59453013HCID 59453013, compound

Sources & evidence

ORD record
ord-6c1f21bc52ea49b099d8f24aa6cbb8c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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