Toluene → HCID 22177242, compound

HRID 1544896Notes

Reaction equation

HRID 1544896 reaction equation
[C:25](=[O:26])([n:27]1[cH:28][cH:29][n:30][cH:31]1)[n:32]1[cH:33][cH:34][n:35][cH:36]1.[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[Cl:1][c:2]1[cH:3][c:4]([NH:9][CH2:10][CH2:11][NH:12][CH2:13][CH:14]([CH2:15][CH:16]=[CH2:17])[c:18]2[cH:19][cH:20][c:21]([I:24])[cH:22][cH:23]2)[cH:5][c:6]([Cl:8])[cH:7]1>>[Cl:1][c:2]1[cH:3][c:4]([N:9]2[CH2:10][CH2:11][N:12]([CH2:13][CH:14]([CH2:15][CH:16]=[CH2:17])[c:18]3[cH:19][cH:20][c:21]([I:24])[cH:22][cH:23]3)[C:25]2=[O:26])[cH:5][c:6]([Cl:8])[cH:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 682631,1'-CarbonyldiimidazoleHCID 22177252HCID 22177252, compound

Product 1

HCID 22177242HCID 22177242, compound

Sources & evidence

ORD record
ord-5ab850577beb4bc9a6add003ace8d149
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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