Water → HCID 123714330, compound

HRID 2161973Notes

Reaction equation

HRID 2161973 reaction equation
[Cl:1][c:2]1[c:3]([CH2:19][c:20]2[s:21][c:22](-[c:25]3[o:26][cH:27][cH:28][cH:29]3)[cH:23][n:24]2)[cH:4][c:5]([CH:8]2[O:9][CH:10]([CH2:17][OH:18])[CH:11]([OH:16])[CH:12]([OH:15])[CH:13]2[OH:14])[cH:6][cH:7]1.[OH2:41].[c:30]1([CH3:40])[cH:31][cH:32][c:33]([S:36](=[O:37])(=[O:38])[Cl:39])[cH:34][cH:35]1.[n:42]1[c:43]([CH3:44])[cH:45][cH:46][cH:47][c:48]1[CH3:49]>>[Cl:1][c:2]1[c:3]([CH2:19][c:20]2[s:21][c:22](-[c:25]3[o:26][cH:27][cH:28][cH:29]3)[cH:23][n:24]2)[cH:4][c:5]([CH:8]2[O:9][CH:10]([CH2:17][O:18][S:36]([c:33]3[cH:32][cH:31][c:30]([CH3:40])[cH:35][cH:34]3)(=[O:37])=[O:38])[CH:11]([OH:16])[CH:12]([OH:15])[CH:13]2[OH:14])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 73974-Toluenesulfonyl chlorideHCID 79372,6-LutidineHCID 75599873HCID 75599873, compound

Product 1

HCID 123714330HCID 123714330, compound

Sources & evidence

ORD record
ord-08db3434427c46858a6248aa5e839022
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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