Benzene → HCID 178444844, compound

HRID 1213815Notes

Reaction equation

HRID 1213815 reaction equation
[CH2:30]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[NH2:36].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[c:3]([NH:9][c:10]2[n:11][c:12]3[cH:13][c:14]([C:23](=[O:24])[OH:25])[c:15]4[c:16]([n:17][c:18]([CH3:20])[o:19]4)[c:21]3[nH:22]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[S:26]([Cl:27])([Cl:28])=[O:29].[cH:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[n:11][c:12]3[cH:13][c:14]([C:23](=[O:25])[NH:36][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[c:15]4[c:16]([n:17][c:18]([CH3:20])[o:19]4)[c:21]3[nH:22]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 8028TetrahydrofuranHCID 8102HexylamineHCID 24386Thionyl ChlorideHCID 81531DiisopropylethylamineHCID 178432356HCID 178432356, compound

Product 1

HCID 178444844HCID 178444844, compound

Sources & evidence

ORD record
ord-f46d92cb326b4655a5b76f61d1f236a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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