Chloride → HCID 86601132, compound

HRID 2326080Notes

Reaction equation

HRID 2326080 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:2][S:3](=[O:4])(=[O:5])[OH:6].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[Cl-:1].[Cl:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([C:20]#[C:21][c:22]3[cH:23][cH:24][c:25]([O:26][CH2:27][CH2:28][OH:29])[cH:30][cH:31]3)[n:18][cH:19]2)[cH:12][cH:13]1.[OH2:55].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[CH3:2][S:3](=[O:4])(=[O:5])[O:6][CH2:28][CH2:27][O:26][c:25]1[cH:24][cH:23][c:22]([C:21]#[C:20][c:17]2[cH:16][cH:15][c:14](-[c:11]3[cH:10][cH:9][c:8]([Cl:7])[cH:13][cH:12]3)[cH:19][n:18]2)[cH:31][cH:30]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 962WaterHCID 1049PyridineHCID 3283Diethyl EtherHCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 67363953HCID 67363953, compound

Product 1

HCID 86601132HCID 86601132, compound

Sources & evidence

ORD record
ord-f12e5a49720241788c52e81d0cb6093b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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