Toluene → HCID 58949875, compound

HRID 1146560Notes

Reaction equation

HRID 1146560 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]2([C:12](=[O:24])[CH2:13][C:14](=[O:23])[N:15]2[c:16]2[cH:17][c:18]([F:22])[cH:19][cH:20][cH:21]2)[CH2:25][CH2:26]1.[CH2:27]([CH3:28])[c:29]1[c:30]([NH2:31])[cH:32][cH:33][cH:34][cH:35]1.[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]2([C:12]([NH:31][c:30]3[c:29]([CH2:27][CH3:28])[cH:35][cH:34][cH:33][cH:32]3)=[CH:13][C:14](=[O:23])[N:15]2[c:16]2[cH:17][c:18]([F:22])[cH:19][cH:20][cH:21]2)[CH2:25][CH2:26]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 113572-EthylanilineHCID 59252699HCID 59252699, compound

Product 1

HCID 58949875HCID 58949875, compound

Sources & evidence

ORD record
ord-9cee572bdcf2417ebdbe30e0955373e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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