Water → HCID 46194118, compound

HRID 2335801Notes

Reaction equation

HRID 2335801 reaction equation
[CH:16]([N:17]([CH:18]([CH3:19])[CH3:20])[CH2:21][CH3:22])([CH3:23])[CH3:24].[CH:1]12[CH:2]([N:11]3[NH:12][CH2:13][C:14]3=[O:15])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[Cl:37][CH2:38][Cl:39].[OH2:36].[c:25]1([CH3:35])[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[Cl:34])[cH:29][cH:30]1>>[CH:1]12[CH:2]([N:11]3[N:12]([S:31]([c:28]4[cH:27][cH:26][c:25]([CH3:35])[cH:30][cH:29]4)(=[O:32])=[O:33])[CH2:13][C:14]3=[O:15])[CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 73974-Toluenesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 67303639HCID 67303639, compound

Product 1

HCID 46194118HCID 46194118, compound

Sources & evidence

ORD record
ord-896eb7cb561443528df2eab1fc0b8721
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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