Toluene → HCID 22027861, compound

HRID 310611Notes

Reaction equation

HRID 310611 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:1][C:2]([Cl:3])=[O:4].[Cl:5][c:6]1[cH:7][c:8]([NH:12][c:13]2[n:14][cH:15][cH:16][c:17](-[c:19]3[cH:20][c:21]([NH:25][CH2:26][CH2:27][OH:28])[n:22][cH:23][cH:24]3)[n:18]2)[cH:9][cH:10][cH:11]1>>[C:2]1(=[O:4])[N:25]([c:21]2[cH:20][c:19](-[c:17]3[cH:16][cH:15][n:14][c:13]([NH:12][c:8]4[cH:7][c:6]([Cl:5])[cH:11][cH:10][cH:9]4)[n:18]3)[cH:24][cH:23][n:22]2)[CH2:26][CH2:27][O:28]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 6371PhosgeneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 19689608HCID 19689608, compound

Product 1

HCID 22027861HCID 22027861, compound

Sources & evidence

ORD record
ord-233ad893867a4b49a820b40c30ed825a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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