Water → HCID 74018133, compound

HRID 2132600Notes

Reaction equation

HRID 2132600 reaction equation
[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[F:13][c:14]1[c:15]([CH:25]([CH2:26][CH:27]2[CH2:28][CH2:29][CH:30]([CH:33]3[CH2:34][CH2:35][CH:36]([CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[CH2:37][CH2:38]3)[CH2:31][CH2:32]2)[OH:44])[c:16]([CH3:24])[cH:17][c:18]([O:21][CH2:22][CH3:23])[c:19]1[F:20].[OH2:1].[OH2:45].[c:2]1([CH3:3])[cH:4][cH:5][c:6]([S:7]([OH:8])(=[O:9])=[O:10])[cH:11][cH:12]1>>[F:13][c:14]1[c:15]([CH:25]=[CH:26][CH:27]2[CH2:28][CH2:29][CH:30]([CH:33]3[CH2:34][CH2:35][CH:36]([CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[CH2:37][CH2:38]3)[CH2:31][CH2:32]2)[c:16]([CH3:24])[cH:17][c:18]([O:21][CH2:22][CH3:23])[c:19]1[F:20]

Participants

5

Reactant 4

HCID 962Water2×HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 23118844HCID 23118844, compound

Product 1

HCID 74018133HCID 74018133, compound

Sources & evidence

ORD record
ord-fdbb3a90570048f0af675c2cb16a3ab9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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