Toluene → HCID 54373276, compound

HRID 123441Notes

Reaction equation

HRID 123441 reaction equation
[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:5]1([n:10]2[n:11][c:12]([CH2:22][CH3:23])[c:13]3[cH:14][cH:15][c:16]([C:19](=[O:20])[OH:21])[cH:17][c:18]23)[CH2:6][CH2:7][CH2:8][CH2:9]1.[Cl:45][CH2:46][Cl:47].[NH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH:5]1([n:10]2[n:11][c:12]([CH2:22][CH3:23])[c:13]3[cH:14][cH:15][c:16]([C:19](=[O:21])[NH:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:17][c:18]23)[CH2:6][CH2:7][CH2:8][CH2:9]1

Participants

9

Reactant 8

HCID 1140TolueneHCID 6115AnilineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24386Thionyl ChlorideHCID 15545851HCID 15545851, compound

Product 1

HCID 54373276HCID 54373276, compound

Sources & evidence

ORD record
ord-ee322752fa6d449d9b4a3fa953767b8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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