Acetate → HCID 9925329, compound

HRID 189653Notes

Reaction equation

HRID 189653 reaction equation
[C:49]([O-:50])(=[O:51])[CH3:52].[CH3:39][CH2:40][OH:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:10][c:11]1[cH:12][cH:13][c:14]([C:17](=[O:18])[N:19]2[CH2:20][c:21]3[n:22]([cH:30][cH:31][cH:32]3)[CH2:23][c:24]3[c:25]2[cH:26][cH:27][cH:28][cH:29]3)[cH:15][n:16]1.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH:1][B:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[Pd+:53]>>[c:4]1(-[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[N:19]3[CH2:20][c:21]4[n:22]([cH:30][cH:31][cH:32]4)[CH2:23][c:24]4[c:25]3[cH:26][cH:27][cH:28][cH:29]4)[cH:15][n:16]2)[cH:5][cH:6][cH:7][cH:8][cH:9]1

Participants

9

Reactant 8

HCID 175AcetateHCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 2194772510-[(6-Chloro-3-pyridinyl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepineHCID 178527693HCID 178527693, compound

Product 1

HCID 9925329HCID 9925329, compound

Sources & evidence

ORD record
ord-60a979c1f21c45c481d874148da8936f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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