Water → HCID 178442621, compound

HRID 2122832Notes

Reaction equation

HRID 2122832 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[C:11]([CH3:40])([CH3:41])[CH:12]2[CH2:13][CH:14]([OH:39])[CH:15]3[C:16]4([C:37]#[N:38])[CH2:17][CH2:18][CH:19]([CH:20]([CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[CH3:27])[C:28]4([CH3:36])[CH2:29][CH2:30][CH:31]3[C:32]2([CH3:35])[CH2:33][CH2:34]1.[CH3:42][S:43](=[O:44])(=[O:45])[Cl:46].[OH2:47].[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH:10]1[C:11]([CH3:40])([CH3:41])[CH:12]2[CH2:13][CH:14]=[C:15]3[C:16]4([C:37]#[N:38])[CH2:17][CH2:18][CH:19]([CH:20]([CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[CH3:27])[C:28]4([CH3:36])[CH2:29][CH2:30][CH:31]3[C:32]2([CH3:35])[CH2:33][CH2:34]1

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 31297Methanesulfonyl chlorideHCID 178442625HCID 178442625, compound

Product 1

HCID 178442621HCID 178442621, compound

Sources & evidence

ORD record
ord-85de6dde034f4b12ac8d6885910371d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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