Sodium ion → [2-(3-{2-dimethylcarbamoyl-4-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-ureido)-ethyl]-methyl-carbamic acid tert-butyl ester

HRID 2327788Notes

Reaction equation

HRID 2327788 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][CH2:10][NH:11][C:12](=[O:13])[NH:14][c:15]1[c:16]([C:22]([N:23]([CH3:24])[CH3:25])=[O:26])[cH:17][c:18]([Br:21])[cH:19][cH:20]1)=[O:27].[CH3:28][O:29][c:30]1[c:31](-[c:36]2[cH:37][n:38]([S:54](=[O:55])(=[O:56])[c:57]3[cH:58][cH:59][c:60]([CH3:63])[cH:61][cH:62]3)[c:39]3[n:40][cH:41][c:42]([B:45]4[O:46][C:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[O:53]4)[cH:43][c:44]23)[cH:32][cH:33][cH:34][cH:35]1.[CH3:64][C:65]#[N:66].[Na+:67].[Na+:68].[O-:69][C:70](=[O:71])[O-:72].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][CH2:10][NH:11][C:12](=[O:13])[NH:14][c:15]1[c:16]([C:22]([N:23]([CH3:24])[CH3:25])=[O:26])[cH:17][c:18](-[c:42]2[cH:41][n:40][c:39]3[n:38]([S:54](=[O:55])(=[O:56])[c:57]4[cH:58][cH:59][c:60]([CH3:63])[cH:61][cH:62]4)[cH:37][c:36](-[c:31]4[c:30]([O:29][CH3:28])[cH:35][cH:34][cH:33][cH:32]4)[c:44]3[cH:43]2)[cH:19][cH:20]1)=[O:27]

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 160390673-(2-Methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridineHCID 57731600{2-[3-(4-Bromo-2-dimethylcarbamoyl-phenyl)-ureido]-ethyl}-methyl-carbamic acid tert-butyl ester

Product 1

HCID 57731465[2-(3-{2-dimethylcarbamoyl-4-[3-(2-methoxy-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-phenyl}-ureido)-ethyl]-methyl-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-9fd3842ecdbe470cba20988ec4acff72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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