Toluene → HCID 9865523, compound

HRID 305418Notes

Reaction equation

HRID 305418 reaction equation
[Br:27][CH2:28][CH2:29][OH:30].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:45][N:46]1[CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[C:52]1=[O:53].[NH:1]1[CH2:2][CH2:3][CH:4]([NH:7][c:8]2[n:9][cH:10][c:11]3[c:12]([n:13]2)[N:14]([CH3:26])[C:15](=[O:25])[N:16]([c:18]2[c:19]([CH3:24])[cH:20][cH:21][cH:22][cH:23]2)[CH2:17]3)[CH2:5][CH2:6]1>>[N:1]1([CH2:28][CH2:29][OH:30])[CH2:2][CH2:3][CH:4]([NH:7][c:8]2[n:9][cH:10][c:11]3[c:12]([n:13]2)[N:14]([CH3:26])[C:15](=[O:25])[N:16]([c:18]2[c:19]([CH3:24])[cH:20][cH:21][cH:22][cH:23]2)[CH2:17]3)[CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8471TriethylamineHCID 108982-BromoethanolHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 18425451HCID 18425451, compound

Product 1

HCID 9865523HCID 9865523, compound

Sources & evidence

ORD record
ord-23d78e8d9c2246d9845aa56535ab6589
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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