Toluene → HCID 18401684, compound

HRID 1223999Notes

Reaction equation

HRID 1223999 reaction equation
[CH2:5]([CH2:6][NH2:7])[NH2:8].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[F:9][C:10]([c:11]1[cH:12][c:13]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][C:19]3([C:20](=[O:33])[N:21]([CH2:30][C:31]#[N:32])[CH2:22][N:23]3[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:34][CH2:35]2)[cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]1)([F:43])[F:44]>>[CH2:5]1[CH2:6][NH:7][C:31]([CH2:30][N:21]2[C:20](=[O:33])[C:19]3([CH2:18][CH2:17][N:16]([C:14]([c:13]4[cH:12][c:11]([C:10]([F:9])([F:43])[F:44])[cH:38][c:37]([C:39]([F:40])([F:41])[F:42])[cH:36]4)=[O:15])[CH2:35][CH2:34]3)[N:23]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:22]2)=[N:32]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 3301EthylenediamineHCID 16682925TrimethylaluminumHCID 18401682HCID 18401682, compound

Product 1

HCID 18401684HCID 18401684, compound

Sources & evidence

ORD record
ord-f870845e7c44406b96a1d9b366287aaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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