Toluene → HCID 178495933, compound

HRID 143413Notes

Reaction equation

HRID 143413 reaction equation
[CH3:10][Al:11]([CH3:12])[CH3:13].[CH3:1][O:2][CH2:3][CH2:4][NH:5][CH2:6][CH2:7][O:8][CH3:9].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:14][c:15]1[cH:16][c:17]2[c:18]([c:19](=[O:33])[c:20]3[c:21]([c:22](=[O:24])[nH:23]2)[nH:25][n:26][c:27]3[C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:34][cH:35]1>>[CH3:1][O:2][CH2:3][CH2:4][N:5]([CH2:6][CH2:7][O:8][CH3:9])[C:28]([c:27]1[c:20]2[c:19](=[O:33])[c:18]3[c:17]([cH:16][c:15]([Cl:14])[cH:35][cH:34]3)[nH:23][c:22](=[O:24])[c:21]2[nH:25][n:26]1)=[O:29]

Participants

5

Sources & evidence

ORD record
ord-c884bc713ee14353b68cc71cd2204521
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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