Water → HCID 23565316, compound

HRID 1131219Notes

Reaction equation

HRID 1131219 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]([OH:14])([c:15]2[cH:16][c:17]([O:26][CH3:27])[c:18]([CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:19][cH:20]2)[CH2:12][CH2:13]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[OH2:28].[OH2:40].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]=[C:11]([c:15]2[cH:16][c:17]([O:26][CH3:27])[c:18]([CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:19][cH:20]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 962Water2×HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 8471TriethylamineHCID 18670203HCID 18670203, compound

Product 1

HCID 23565316HCID 23565316, compound

Sources & evidence

ORD record
ord-d61b6a1121054c8ea5df9b706760a743
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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