Sodium ion → HCID 59452893, compound

HRID 1546710Notes

Reaction equation

HRID 1546710 reaction equation
[CH2:36]([CH3:37])[O:38][c:39]1[c:40]([NH2:41])[cH:42][cH:43][c:44]([N:46]2[CH2:47][CH2:48][N:49]([CH2:52][CH2:53][S:54](=[O:55])(=[O:56])[CH3:57])[CH2:50][CH2:51]2)[cH:45]1.[CH3:69][O-:70].[CH:75]([OH:76])([CH3:77])[CH3:78].[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][CH3:35])[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.[Cl:72][CH2:73][Cl:74].[Na+:71].[c:58]1([CH3:59])[cH:60][cH:61][c:62]([S:63]([OH:64])(=[O:65])=[O:66])[cH:67][cH:68]1>>[c:2]1([NH:41][c:40]2[c:39]([O:38][CH2:36][CH3:37])[cH:45][c:44]([N:46]3[CH2:47][CH2:48][N:49]([CH2:52][CH2:53][S:54](=[O:55])(=[O:56])[CH3:57])[CH2:50][CH2:51]3)[cH:43][cH:42]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][CH3:35])[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

8

Reactant 7

HCID 923Sodium ionHCID 3776IsopropanolHCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 3826051MethoxideHCID 594525905-(3-(2-chloropyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)-2-methoxybenzamideHCID 666497432-(Ethyloxy)-4-{4-[2-(methylsulfonyl)ethyl)-1-piperazinyl}aniline

Product 1

HCID 59452893HCID 59452893, compound

Sources & evidence

ORD record
ord-9323143957c24c42bd03f9c0d21b394b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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