Chloride → HCID 45110759, compound

HRID 158533Notes

Reaction equation

HRID 158533 reaction equation
[CH2:28]([CH3:29])[n:30]1[n:31][c:32]([NH2:43])[n:33][c:34]1-[c:35]1[cH:36][cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]1.[CH:19]([N:20]([CH2:21][CH3:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[CH:1]1([CH2:4][S:5](=[O:6])(=[O:7])[C:8]([C:9](=[O:10])[OH:11])([CH3:12])[CH3:13])[CH2:2][CH2:3]1.[Cl-:14].[Cl:44][CH2:45][Cl:46].[S:15]([Cl:16])([Cl:17])=[O:18]>>[CH:1]1([CH2:4][S:5](=[O:6])(=[O:7])[C:8]([C:9](=[O:11])[NH:43][c:32]2[n:31][n:30]([CH2:28][CH3:29])[c:34](-[c:35]3[cH:36][cH:37][c:38]([O:41][CH3:42])[cH:39][cH:40]3)[n:33]2)([CH3:12])[CH3:13])[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 81531DiisopropylethylamineHCID 59253172HCID 59253172, compoundHCID 59253257HCID 59253257, compound

Product 1

HCID 45110759HCID 45110759, compound

Sources & evidence

ORD record
ord-cc26a5ee381a42fbb6f6eb65436f3dec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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