Benzene → HCID 178425051, compound

HRID 1149223Notes

Reaction equation

HRID 1149223 reaction equation
[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[OH:26])[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[F:27][C:28]([c:29]1[cH:30][cH:31][c:32]([NH2:35])[cH:33][cH:34]1)([F:36])[F:37].[OH2:47].[S:54]([Cl:55])([Cl:56])=[O:57].[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[NH:35][c:32]2[cH:31][cH:30][c:29]([C:28]([F:27])([F:36])[F:37])[cH:34][cH:33]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 962WaterHCID 8028TetrahydrofuranHCID 99644-(Trifluoromethyl)anilineHCID 24386Thionyl ChlorideHCID 81531DiisopropylethylamineHCID 178425067HCID 178425067, compound

Product 1

HCID 178425051HCID 178425051, compound

Sources & evidence

ORD record
ord-efc46792cd44433eb00aa76c1a0fa4c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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