Toluene → HCID 178489784, compound

HRID 685843Notes

Reaction equation

HRID 685843 reaction equation
[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:25][O:26][c:27]1[cH:28][c:29]([CH2:35][CH2:36][c:37]2[cH:38][c:39]([NH2:42])[nH:40][n:41]2)[cH:30][c:31]([O:33][CH3:34])[cH:32]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH:5]1([N:8]2[CH2:9][CH2:10][N:11]([c:15]3[n:16][cH:17][c:18]([C:21]([O:23][CH3:22])=[O:24])[cH:19][n:20]3)[CH2:12][CH2:13][CH2:14]2)[CH2:6][CH2:7]1>>[CH:5]1([N:8]2[CH2:9][CH2:10][N:11]([c:15]3[n:16][cH:17][c:18]([C:21](=[O:23])[NH:42][c:39]4[cH:38][c:37]([CH2:36][CH2:35][c:29]5[cH:28][c:27]([O:26][CH3:25])[cH:32][c:31]([O:33][CH3:34])[cH:30]5)[n:41][nH:40]4)[cH:19][n:20]3)[CH2:12][CH2:13][CH2:14]2)[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 16682925TrimethylaluminumHCID 66589974Methyl 2-(4-cyclopropyl-1,4-diazepan-1-yl)pyrimidine-5-carboxylateHCID 178489815HCID 178489815, compound

Product 1

HCID 178489784HCID 178489784, compound

Sources & evidence

ORD record
ord-6e3d7c8db40946d1be20d32c50d91af4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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