Toluene → HCID 22134473, compound

HRID 1218088Notes

Reaction equation

HRID 1218088 reaction equation
[CH2:22]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[O:42][c:43]1[c:44](-[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:45][c:46]([NH2:47])[cH:48][c:49]1-[c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:1][c:2]1[c:3]([N:10]=[C:11]([CH3:12])[c:13]2[n:14][c:15]([C:19]([CH3:20])=[O:21])[cH:16][cH:17][cH:18]2)[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1.[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[CH3:1][c:2]1[c:3]([N:10]=[C:11]([CH3:12])[c:13]2[n:14][c:15]([C:19]([CH3:20])=[N:47][c:46]3[cH:45][c:44](-[c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)[c:43]([O:42][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[c:49](-[c:50]4[cH:51][cH:52][cH:53][cH:54][cH:55]4)[cH:48]3)[cH:16][cH:17][cH:18]2)[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 221344681-{6-[(1E)-N-(2,4,6-Trimethylphenyl)ethanimidoyl]pyridin-2-yl}ethan-1-oneHCID 22134479HCID 22134479, compound

Product 1

HCID 22134473HCID 22134473, compound

Sources & evidence

ORD record
ord-1c7fb995f86941daac5d2acdeefc111d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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