Toluene → HCID 72987042, compound

HRID 2140862Notes

Reaction equation

HRID 2140862 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][C:21]([CH:22]([c:23]2[cH:24][c:25]([F:31])[c:26]([O:29][CH3:30])[cH:27][cH:28]2)[NH2:32])=[O:33])=[O:34])[s:8][cH:9]1.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[O:44]=[C:45]([Cl:46])[O:47][C:48]([Cl:49])([Cl:50])[Cl:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[N:20]2[C:21](=[O:33])[CH:22]([c:23]3[cH:24][c:25]([F:31])[c:26]([O:29][CH3:30])[cH:27][cH:28]3)[NH:32][C:45]2=[O:44])=[O:34])[s:8][cH:9]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 10426DiphosgeneHCID 81531DiisopropylethylamineHCID 87580133HCID 87580133, compound

Product 1

HCID 72987042HCID 72987042, compound

Sources & evidence

ORD record
ord-e55ea6f807ec47f1bb748797df4a82e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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