Toluene → HCID 178499003, compound

HRID 1232142Notes

Reaction equation

HRID 1232142 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([NH:10][C:11]([CH:12]([CH:13]([CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[NH:21][C:22]([CH:23]([c:24]2[cH:25][c:26]3[c:27]([cH:32][cH:33]2)[O:28][CH2:29][CH2:30][O:31]3)[NH2:34])=[O:35])=[O:36])[s:8][cH:9]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[O:46]=[C:47]([Cl:48])[O:49][C:50]([Cl:51])([Cl:52])[Cl:53].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([NH:10][C:11]([CH:12]([CH:13]([CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[N:21]2[C:22](=[O:35])[CH:23]([c:24]3[cH:25][c:26]4[c:27]([cH:32][cH:33]3)[O:28][CH2:29][CH2:30][O:31]4)[NH:34][C:47]2=[O:46])=[O:36])[s:8][cH:9]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 10426DiphosgeneHCID 81531DiisopropylethylamineHCID 178499005HCID 178499005, compound

Product 1

HCID 178499003HCID 178499003, compound

Sources & evidence

ORD record
ord-b59763aceeac4d659a6f1ceb122d6a50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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