Isopropanol → HCID 178430828, compound

HRID 668447Notes

Reaction equation

HRID 668447 reaction equation
[Br:23][c:24]1[cH:25][c:26]([NH:27][C:28](=[N:29][C:30]#[N:31])[O-:32])[cH:33][cH:34][cH:35]1.[C:1](#[N:2])[N:3]=[C:4]([NH:5][c:6]1[cH:7][c:8]([C:12]([F:13])([F:14])[F:15])[cH:9][cH:10][cH:11]1)[O:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:36][c:37]1[cH:38][nH:39][c:40]2[n:41][cH:42][n:43][c:44]([N:46]3[CH2:47][CH:48]([CH3:52])[NH:49][CH2:50][CH2:51]3)[c:45]12.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH:60]([OH:61])([CH3:62])[CH3:63]>>[C:1](#[N:2])[N:3]=[C:4]([NH:5][c:6]1[cH:7][c:8]([C:12]([F:13])([F:14])[F:15])[cH:9][cH:10][cH:11]1)[N:49]1[CH:48]([CH3:52])[CH2:47][N:46]([c:44]2[n:43][cH:42][n:41][c:40]3[nH:39][cH:38][c:37]([CH3:36])[c:45]32)[CH2:51][CH2:50]1

Participants

6

Reactant 5

HCID 3776IsopropanolHCID 8471TriethylamineHCID 687285275-methyl-4-(3-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidineHCID 178512251HCID 178512251, compoundHCID 178512407HCID 178512407, compound

Product 1

HCID 178430828HCID 178430828, compound

Sources & evidence

ORD record
ord-8d7b41c2aae24a308c71859b1da24c9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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