Water → [1-Ethyl-4-(4,4,5,8-tetramethyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl)pyrazol-5-yl] acetate

HRID 1214029

Reaction equation

HRID 1214029 reaction equation
[CH2:39]([Cl:40])[Cl:41].[CH3:1][C:2]1([CH3:26])[CH2:3][CH2:4][S:5](=[O:24])(=[O:25])[c:6]2[c:7]([CH3:23])[cH:8][c:9]([C:13](=[O:14])[c:15]3[cH:16][n:17][n:18]([CH2:21][CH3:22])[c:19]3[OH:20])[c:10]([CH3:12])[c:11]21.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:34][C:35]([Cl:36])=[O:37].[OH2:38]>>[CH3:1][C:2]1([CH3:26])[CH2:3][CH2:4][S:5](=[O:24])(=[O:25])[c:6]2[c:7]([CH3:23])[cH:8][c:9]([C:13](=[O:14])[c:15]3[cH:16][n:17][n:18]([CH2:21][CH3:22])[c:19]3[O:20][C:35]([CH3:34])=[O:37])[c:10]([CH3:12])[c:11]21

Participants

6

Sources & evidence

ORD record
ord-c938eaf903ac4948b47403d3205b4430
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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