Water → HCID 11454340, compound

HRID 686917Notes

Reaction equation

HRID 686917 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[c:18]2[c:19]([Cl:25])[n:20][c:21]([CH3:24])[n:22][cH:23]2)[cH:13][cH:14]1.[CH3:26][c:27]1[c:28]([NH2:29])[cH:30][cH:31][c:32]([O:34][CH3:35])[cH:33]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[OH2:36].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[c:18]2[c:19]([NH:29][c:28]3[c:27]([CH3:26])[cH:33][c:32]([O:34][CH3:35])[cH:31][cH:30]3)[n:20][c:21]([CH3:24])[n:22][cH:23]2)[cH:13][cH:14]1

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 76102-Methyl-4-methoxyanilineHCID 21941677HCID 21941677, compound

Product 1

HCID 11454340HCID 11454340, compound

Sources & evidence

ORD record
ord-3c49efccf47343fd9bceddc314adbfea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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