Water → HCID 54717218, compound

HRID 670432Notes

Reaction equation

HRID 670432 reaction equation
[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[OH2:28].[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][s:12]2.[c:13]1([CH:19]([CH:20]=[O:21])[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:14][cH:15][cH:16][cH:17][cH:18]1.[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1>>[OH:1][c:2]1[c:3]2[c:4]([s:5][c:6]1[C:7](=[O:8])[NH:9][CH:20]=[C:19]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[cH:10][cH:11][s:12]2

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 13696DiphenylacetaldehydeHCID 547172153-Hydroxythieno[3,2-b]thiophene-2-carboxamide

Product 1

HCID 54717218HCID 54717218, compound

Sources & evidence

ORD record
ord-233d4aa29de94efa8c2ed1027b179db7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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