Toluene → HCID 77151387, compound

HRID 1236248Notes

Reaction equation

HRID 1236248 reaction equation
[CH3:1][c:2]1[cH:3][c:4]2[c:5]([c:28]([CH3:30])[cH:29]1)[N:6]([C:18](=[O:19])[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH2:7][CH2:8][CH2:9][C:10]2=[N:11][c:12]1[n:13][n:14][n:15]([CH3:17])[n:16]1.[CH3:31][c:32]1[cH:33][c:34]([CH3:35])[c:36]2[c:59]([cH:60]1)[C:51]([NH:52][c:53]1[n:54][n:55][n:56]([CH3:57])[n:58]1)=[CH:50][CH2:49][CH2:48][N:37]2[C:38]([O:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)=[O:47].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([c:28]([CH3:30])[cH:29]1)[N:6]([C:18](=[O:19])[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH2:7][CH2:8][CH2:9][CH:10]2[NH:11][c:12]1[n:13][n:14][n:15]([CH3:17])[n:16]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 66599230HCID 66599230, compoundHCID 66599326HCID 66599326, compound

Product 1

HCID 77151387HCID 77151387, compound

Sources & evidence

ORD record
ord-aa9cbd3001df4ce9844efa0510d061b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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