Water → HCID 57585159, compound

HRID 701399Notes

Reaction equation

HRID 701399 reaction equation
[Br:29][c:30]1[cH:31][c:32]([NH:37][S:38](=[O:39])(=[O:40])[N:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[c:33]([Cl:36])[n:34][cH:35]1.[C:23](=[O:24])([O-:25])[O-:26].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:16][C:17]([CH3:18])=[O:19])[s:15]3)[cH:20][cH:21]2)[O:22]1.[Cs+:27].[Cs+:28].[OH2:47]>>[c:9]1(-[c:30]2[cH:31][c:32]([NH:37][S:38](=[O:39])(=[O:40])[N:41]3[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]3)[c:33]([Cl:36])[n:34][cH:35]2)[cH:10][c:11]2[c:12]([n:13][c:14]([NH:16][C:17]([CH3:18])=[O:19])[s:15]2)[cH:20][cH:21]1

Participants

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 51354026n-(6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazol-2-yl)acetamideHCID 77231507HCID 77231507, compound

Product 1

HCID 57585159HCID 57585159, compound

Sources & evidence

ORD record
ord-205f3bbdb69148c8b3a21b0d425426d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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