Methanol → HCID 72257628, compound

HRID 119985Notes

Reaction equation

HRID 119985 reaction equation
[CH2:45]([Cl:46])[Cl:47].[CH3:1][N:2]1[CH2:3][CH2:4][CH2:5][C:6]1=[O:7].[CH3:36][CH:37]1[NH:38][CH2:39][CH2:40][NH:41][CH2:42]1.[CH3:43][OH:44].[Cl:8][c:9]1[n:10]([CH2:31][C:32]([F:33])([F:34])[F:35])[c:11]2[n:12][c:13](-[c:24]3[cH:25][n:26][c:27]([NH2:30])[n:28][cH:29]3)[n:14][c:15]([N:18]3[CH2:19][CH2:20][O:21][CH2:22][CH2:23]3)[c:16]2[n:17]1>>[c:9]1([N:41]2[CH2:40][CH2:39][NH:38][CH:37]([CH3:36])[CH2:42]2)[n:10]([CH2:31][C:32]([F:33])([F:34])[F:35])[c:11]2[n:12][c:13](-[c:24]3[cH:25][n:26][c:27]([NH2:30])[n:28][cH:29]3)[n:14][c:15]([N:18]3[CH2:19][CH2:20][O:21][CH2:22][CH2:23]3)[c:16]2[n:17]1

Participants

6

Reactant 5

HCID 887MethanolHCID 6344DichloromethaneHCID 13387N-methyl-2-pyrrolidoneHCID 660572-MethylpiperazineHCID 593335342-(2-aminopyrimidin-5-yl)-8-chloro-6-(morpholin-4-yl)-9-(2,2,2-trifluoroethyl)-9H-purine

Product 1

HCID 72257628HCID 72257628, compound

Sources & evidence

ORD record
ord-4539986071d041388a140b7b5671b41f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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