Toluene → HCID 21519201, compound

HRID 211414Notes

Reaction equation

HRID 211414 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([CH2:14][NH:15][c:16]2[cH:17][c:18]([S:22][CH3:23])[cH:19][cH:20][cH:21]2)[O:11][CH2:12][CH2:13]1.[CH3:24][N:25]([P:26]([N:27]([CH3:28])[CH3:29])([N:30]([CH3:31])[CH3:32])=[O:33])[CH3:34].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cl:35][C:36](=[O:37])[O:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[N:8]1([C:36](=[O:37])[O:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:9][CH:10]([CH2:14][NH:15][c:16]2[cH:17][c:18]([S:22][CH3:23])[cH:19][cH:20][cH:21]2)[O:11][CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 12679HexamethylphosphoramideHCID 15891Phenyl chloroformateHCID 21519198HCID 21519198, compound

Product 1

HCID 21519201HCID 21519201, compound

Sources & evidence

ORD record
ord-56c56700b4e64e08a8b0dbe735aaadda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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