Water → HCID 12095194, compound

HRID 208371Notes

Reaction equation

HRID 208371 reaction equation
[CH3:1][O:2][c:3]1[c:4]([CH:11]([OH:12])[c:13]2[c:14]([O:21][CH3:22])[cH:15][cH:16][cH:17][c:18]2[O:19][CH3:20])[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1.[CH3:35][O:36][c:37]1[c:38]([CH2:45][c:46]2[c:47]([O:54][CH3:55])[cH:48][cH:49][cH:50][c:51]2[O:52][CH3:53])[c:39]([O:43][CH3:44])[cH:40][cH:41][cH:42]1.[CH3:56][C:57]#[N:58].[OH2:23].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[CH3:1][O:2][c:3]1[c:4]([CH:11]([c:13]2[c:14]([O:21][CH3:22])[cH:15][cH:16][cH:17][c:18]2[O:19][CH3:20])[CH:45]([c:38]2[c:37]([O:36][CH3:35])[cH:42][cH:41][cH:40][c:39]2[O:43][CH3:44])[c:46]2[c:47]([O:54][CH3:55])[cH:48][cH:49][cH:50][c:51]2[O:52][CH3:53])[c:5]([O:9][CH3:10])[cH:6][cH:7][cH:8]1

Participants

6

Reactant 5

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 6342AcetonitrileHCID 10979619HCID 10979619, compoundHCID 12095193HCID 12095193, compound

Product 1

HCID 12095194HCID 12095194, compound

Sources & evidence

ORD record
ord-1f441e9e64ce4cdaadb2f4e82f2ab089
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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