Toluene → HCID 19772094, compound

HRID 2333896Notes

Reaction equation

HRID 2333896 reaction equation
[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[NH2:25][CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH2:12][CH:13]([C:16]([c:17]3[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)=[O:24])[CH2:14][CH2:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:33]1([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[c:1]1([S:7](=[O:8])(=[O:9])[N:10]2[CH2:11][CH2:12][CH:13]([C:16]([c:17]3[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]3)=[N:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:14][CH2:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 7371Benzenesulfonic AcidHCID 7504BenzylamineHCID 1438176HCID 1438176, compound

Product 1

HCID 19772094HCID 19772094, compound

Sources & evidence

ORD record
ord-d904961d0e6b429cab68401b6aaa4070
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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