1,2-Dichloroethane → ethyl 3-[3-[[4-[4-[(2,4-dimethoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl-propan-2-ylamino]cyclobutyl]propanoate

HRID 670193Notes

Reaction equation

HRID 670193 reaction equation
[C:57]([O:58][BH-:59]([O:60][C:61](=[O:62])[CH3:63])[O:64][C:65](=[O:66])[CH3:67])(=[O:68])[CH3:69].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[c:9]([n:10][cH:11][n:12]2)[n:13]([CH:16]2[CH2:17][CH:18]([CH2:26][NH:27][CH:28]([CH3:29])[CH3:30])[CH:19]4[O:20][C:21]([CH3:24])([CH3:25])[O:22][CH:23]24)[cH:14][cH:15]3)[cH:31][cH:32][c:33]([O:35][CH3:36])[cH:34]1.[CH3:53][C:54](=[O:55])[OH:56].[Cl:37][CH2:38][CH2:39][Cl:40].[Cl:71][CH2:72][Cl:73].[Na+:70].[O:41]=[C:42]1[CH2:43][CH:44]([CH2:46][CH2:47][C:48](=[O:49])[O:50][CH2:51][CH3:52])[CH2:45]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]3[c:9]([n:10][cH:11][n:12]2)[n:13]([CH:16]2[CH2:17][CH:18]([CH2:26][N:27]([CH:28]([CH3:29])[CH3:30])[CH:42]4[CH2:43][CH:44]([CH2:46][CH2:47][C:48](=[O:49])[O:50][CH2:51][CH3:52])[CH2:45]4)[CH:19]4[O:20][C:21]([CH3:24])([CH3:25])[O:22][CH:23]24)[cH:14][cH:15]3)[cH:31][cH:32][c:33]([O:35][CH3:36])[cH:34]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 67775333Ethyl 3-(3-oxocyclobutyl)propanoateHCID 77353045N-[(2,4-dimethoxyphenyl)methyl]-7-[2,2-dimethyl-6-[(propan-2-ylamino)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine

Product 1

HCID 77353493ethyl 3-[3-[[4-[4-[(2,4-dimethoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl-propan-2-ylamino]cyclobutyl]propanoate

Sources & evidence

ORD record
ord-c5c47e6d0ccb45548658e89d3575527e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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