Dichloromethane → N-[2-amino-5-(oxetan-3-yl)phenyl]-3-[3-[[4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-methylamino]cyclobutyl]propanamide

HRID 1132160Notes

Reaction equation

HRID 1132160 reaction equation
[CH2:78]([Cl:79])[Cl:80].[CH3:61][N+:62]([CH3:63])=[C:64]([N:65]([CH3:66])[CH3:67])[O:68][n:69]1[c:70]2[n:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[F:54][P-:55]([F:56])([F:57])([F:58])([F:59])[F:60].[NH2:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:11]3[O:12][CH:13]([CH2:21][N:22]([CH:23]4[CH2:24][CH:25]([CH2:27][CH2:28][C:29](=[O:30])[OH:31])[CH2:26]4)[CH3:32])[CH:14]4[CH:15]3[O:16][C:17]([CH3:19])([CH3:20])[O:18]4)[c:7]2[n:8][cH:9][n:10]1.[O:33]1[CH2:34][CH:35]([c:37]2[cH:38][c:39]([NH2:44])[c:40]([NH2:43])[cH:41][cH:42]2)[CH2:36]1>>[NH2:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:11]3[O:12][CH:13]([CH2:21][N:22]([CH:23]4[CH2:24][CH:25]([CH2:27][CH2:28][C:29](=[O:30])[NH:44][c:39]5[cH:38][c:37]([CH:35]6[CH2:34][O:33][CH2:36]6)[cH:42][cH:41][c:40]5[NH2:43])[CH2:26]4)[CH3:32])[CH:14]4[CH:15]3[O:16][C:17]([CH3:19])([CH3:20])[O:18]4)[c:7]2[n:8][cH:9][n:10]1

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 677761524-(Oxetan-3-YL)benzene-1,2-diamineHCID 773529713-[3-[[4-(6-Aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-methylamino]cyclobutyl]propanoic acid

Product 1

HCID 77353040N-[2-amino-5-(oxetan-3-yl)phenyl]-3-[3-[[4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-methylamino]cyclobutyl]propanamide

Sources & evidence

ORD record
ord-c831bc34cd2040078daf09ead618015d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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