Toluene → HCID 67138505, compound

HRID 1124763Notes

Reaction equation

HRID 1124763 reaction equation
[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]2[C:7](=[O:22])[CH2:8][N:9]([CH2:13][c:14]3[cH:15][cH:16][c:17]([C:19](=[O:20])[OH:21])[s:18]3)[S:10]2(=[O:11])=[O:12])[cH:23][cH:24][c:25]([O:27][CH3:28])[cH:26]1.[CH3:33][NH:34][CH2:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Cl:57][CH2:58][Cl:59].[S:29]([Cl:30])([Cl:31])=[O:32]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]2[C:7](=[O:22])[CH2:8][N:9]([CH2:13][c:14]3[cH:15][cH:16][c:17]([C:19](=[O:20])[N:34]([CH3:33])[CH2:35][CH2:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[s:18]3)[S:10]2(=[O:11])=[O:12])[cH:23][cH:24][c:25]([O:27][CH3:28])[cH:26]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 6344DichloromethaneHCID 8471TriethylamineHCID 11503N-MethylbenzeneethanamineHCID 24386Thionyl ChlorideHCID 67139805HCID 67139805, compound

Product 1

HCID 67138505HCID 67138505, compound

Sources & evidence

ORD record
ord-d5f29ce8bb6e4e70ae13ac1c0877768c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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