Toluene → HCID 18461269, compound

HRID 1113755Notes

Reaction equation

HRID 1113755 reaction equation
[C:32]([O:33][CH2:34][CH3:35])(=[O:36])[CH3:37].[C:45]([O:46][CH2:47][CH3:48])(=[O:49])[CH3:50].[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]([N:23]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH3:31])[cH:6][c:7]([O:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]2)[cH:8][cH:9]1.[c:38]1([CH3:39])[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[NH2:1][c:4]1[c:5]([N:23]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH3:31])[cH:6][c:7]([O:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:15][cH:16]2)[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8058HexaneHCID 8857Ethyl Acetate2×HCID 18461263HCID 18461263, compound

Product 1

HCID 18461269HCID 18461269, compound

Sources & evidence

ORD record
ord-6a784867830943818776d6e6918e1343
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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