Water → HCID 54680218, compound

HRID 2130814Notes

Reaction equation

HRID 2130814 reaction equation
[CH3:18][O:19][c:20]1[cH:21][cH:22][c:23]([CH:26]([CH:27]=[O:28])[c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[cH:24][cH:25]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[OH2:37].[OH2:49].[OH:1][c:2]1[c:3]2[c:4]([s:5][c:6]1[C:7](=[O:8])[NH2:9])[cH:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2.[c:38]1([CH3:39])[cH:40][cH:41][c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48]1>>[OH:1][c:2]1[c:3]2[c:4]([s:5][c:6]1[C:7](=[O:8])[NH:9][CH:27]=[C:26]([c:23]1[cH:22][cH:21][c:20]([O:19][CH3:18])[cH:25][cH:24]1)[c:29]1[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]1)[cH:10][cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2

Participants

6

Reactant 5

HCID 962Water2×HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 12652957HCID 12652957, compoundHCID 54680210HCID 54680210, compound

Product 1

HCID 54680218HCID 54680218, compound

Sources & evidence

ORD record
ord-443c738a446d4b55aa966f21a05d4f4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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