Water → HCID 66997963, compound

HRID 1227793Notes

Reaction equation

HRID 1227793 reaction equation
[CH2:1]([O:2][C:3](=[O:4])[NH:10][CH2:11][c:12]1[s:13][cH:14][c:15](-[c:17]2[cH:18][c:19]3[c:20]4[c:21]([n:22]([CH3:26])[c:23]3[cH:24][cH:25]2)[n:27]([CH3:39])[c:28](=[O:38])[c:29](-[c:31]2[cH:32][cH:33][c:34]([Br:37])[cH:35][cH:36]2)[cH:30]4)[n:16]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:40]1.[F:50][C:51]([F:52])([F:53])[C:54]([OH:55])=[O:56].[OH2:49].[c:41]1([S:42][CH3:43])[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[NH2:10][CH2:11][c:12]1[s:13][cH:14][c:15](-[c:17]2[cH:18][c:19]3[c:20]4[c:21]([n:22]([CH3:26])[c:23]3[cH:24][cH:25]2)[n:27]([CH3:39])[c:28](=[O:38])[c:29](-[c:31]2[cH:32][cH:33][c:34]([Br:37])[cH:35][cH:36]2)[cH:30]4)[n:16]1

Participants

5

Reactant 4

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 7520ThioanisoleHCID 66998381HCID 66998381, compound

Product 1

HCID 66997963HCID 66997963, compound

Sources & evidence

ORD record
ord-aae8b66fbc92460ab6024b8f4080eb7f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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