Acetic Acid → HCID 9808068, compound

HRID 1129378Notes

Reaction equation

HRID 1129378 reaction equation
[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[CH3:37][N:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:44][C:45](=[O:46])[OH:47].[Cl:62][CH:63]([Cl:64])[CH3:65].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:30]1[CH2:31][CH2:32][C:33](=[O:36])[CH2:34][CH2:35]1)[cH:9][c:10]2-[c:11]1[cH:12][c:13]([O:28][CH3:29])[c:14]([NH:17][C:18]([CH2:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)=[O:27])[cH:15][cH:16]1.[Na+:61]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:30]1[CH2:31][CH2:32][CH:33]([N:41]3[CH2:40][CH2:39][N:38]([CH3:37])[CH2:43][CH2:42]3)[CH2:34][CH2:35]1)[cH:9][c:10]2-[c:11]1[cH:12][c:13]([O:28][CH3:29])[c:14]([NH:17][C:18]([CH2:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)=[O:27])[cH:15][cH:16]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 531671-MethylpiperazineHCID 2724942TriacetoxyborohydrideHCID 22736194N1-{4-[4-amino-7-(4-oxocyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxyphenyl}-3-phenylpropanamide

Product 1

HCID 9808068HCID 9808068, compound

Sources & evidence

ORD record
ord-bd7d6b60f25a465ba78db8a4c7c6e3f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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