Toluene → HCID 67112029, compound

HRID 289370Notes

Reaction equation

HRID 289370 reaction equation
[C:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])(=[O:35])[O:36][CH2:37][CH3:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl:46][CH2:47][Cl:48].[F:1][c:2]1[cH:3][c:4]([CH2:26][CH2:27][NH2:28])[cH:5][cH:6][c:7]1-[c:8]1[s:9][c:10]2[n:11][c:12]([C:17]3([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[CH2:18][CH2:19]3)[cH:13][cH:14][c:15]2[n:16]1>>[F:1][c:2]1[cH:3][c:4]([CH2:26][CH2:27][NH:28][C:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])=[O:35])[cH:5][cH:6][c:7]1-[c:8]1[s:9][c:10]2[n:11][c:12]([C:17]3([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[CH2:18][CH2:19]3)[cH:13][cH:14][c:15]2[n:16]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 7268Diethyl OxalateHCID 57397896HCID 57397896, compound

Product 1

HCID 67112029HCID 67112029, compound

Sources & evidence

ORD record
ord-4f924ac687474b6eaba1bc680c75d1f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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