Toluene → HCID 21428591, compound

HRID 134641Notes

Reaction equation

HRID 134641 reaction equation
[CH2:39]([CH3:40])[O:41][C:42](=[O:43])[Cl:44].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[c:1]1([CH:7]([N:8]2[CH2:9][C:10]([CH2:14][c:15]3[cH:16][c:17]([O:23][CH3:24])[c:18]([O:21][CH3:22])[cH:19][cH:20]3)([CH3:25])[NH:11][CH2:12][CH2:13]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([N:8]2[CH2:9][C:10]([CH2:14][c:15]3[cH:16][c:17]([O:23][CH3:24])[c:18]([O:21][CH3:22])[cH:19][cH:20]3)([CH3:25])[N:11]([C:42]([O:41][CH2:39][CH3:40])=[O:43])[CH2:12][CH2:13]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 21428563HCID 21428563, compound

Product 1

HCID 21428591HCID 21428591, compound

Sources & evidence

ORD record
ord-b94d7e70cf594d59b8e7bac4dc05c584
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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